4-[[5-[[[3-(3-methylphenyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[3-(3-methylphenyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[3-(m-tolyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[3-(3-methylphenyl)-1-cyclohept-2-enyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[3-(3-methylphenyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[3-(m-tolyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C26H28N4 MolecularWeight: 396.52732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(CCCC2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(CCCC2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H28N4/c1-20-5-4-7-23(13-20)24-6-2-3-8-25(14-24)29-17-26-16-28-19-30(26)18-22-11-9-21(15-27)10-12-22/h4-5,7,9-14,16,19,25,29H,2-3,6,8,17-18H2,1H3