4-(7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 4-(7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzenecarbonitrile Openeye Name: 4-(7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile CAS Name: 4-(7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile IUPAC Name: 4-(7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile Traditional Name: 4-(7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile Formula: C28H31N MolecularWeight: 381.55244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC2=C(C1)C=CC3=C2C=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCC1CCC2=C(C1)C=CC3=C2C=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H31N/c1-2-3-4-5-6-7-21-10-16-27-25(18-21)13-14-26-19-24(15-17-28(26)27)23-11-8-22(20-29)9-12-23/h8-9,11-15,17,19,21H,2-7,10,16,18H2,1H3