4-[[3-[[[3-(2-methylphenyl)cyclohept-2-en-1-yl]amino]methyl]pyridin-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[[[3-(2-methylphenyl)cyclohept-2-en-1-yl]amino]methyl]pyridin-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[[[3-(o-tolyl)cyclohept-2-en-1-yl]amino]methyl]-4-pyridyl]methyl]benzonitrile CAS Name: 4-[[3-[[[3-(2-methylphenyl)-1-cyclohept-2-enyl]amino]methyl]-4-pyridinyl]methyl]benzonitrile IUPAC Name: 4-[[3-[[[3-(2-methylphenyl)cyclohept-2-en-1-yl]amino]methyl]pyridin-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[[3-(o-tolyl)cyclohept-2-en-1-yl]amino]methyl]-4-pyridyl]methyl]benzonitrile Formula: C28H29N3 MolecularWeight: 407.54996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(CCCC2)NCC3=C(C=CN=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=CC(CCCC2)NCC3=C(C=CN=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H29N3/c1-21-6-2-5-9-28(21)25-7-3-4-8-27(17-25)31-20-26-19-30-15-14-24(26)16-22-10-12-23(18-29)13-11-22/h2,5-6,9-15,17,19,27,31H,3-4,7-8,16,20H2,1H3