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Molecule : 6IP

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)
2	InChIKey	InChI	1.03	OSHSZKRWKLQZBV-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	n1c(N)cccc1CCc2ccc3c(c2)ncc3
4	SMILES	CACTVS	3.341	Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
5	SMILES	OpenEye OEToolkits	1.5.0	c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2
6	Canonical SMILES	CACTVS	3.341	Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2