4-(7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 4-(7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile Openeye Name: 4-(7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile CAS Name: 4-(7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile IUPAC Name: 4-(7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile Traditional Name: 4-(7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile Formula: C25H29N MolecularWeight: 343.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H29N/c1-2-3-4-18-7-13-24-22(15-18)10-11-23-16-21(12-14-25(23)24)20-8-5-19(17-26)6-9-20/h5-6,8-11,18,21H,2-4,7,12-16H2,1H3