2-[[cyclohexyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[cyclohexyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[cyclohexyl-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 2-[[cyclohexyl-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]amino]methyl]benzonitrile IUPAC Name: 2-[[cyclohexyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 2-[[cyclohexyl-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile Formula: C27H31N3 MolecularWeight: 397.55514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2CN(CC3=CC=CC=C3C#N)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2CN(CC3=CC=CC=C3C#N)C4CCCCC4

InChI

InChI=1S/C27H31N3/c1-22-13-15-23(16-14-22)19-29-17-7-12-27(29)21-30(26-10-3-2-4-11-26)20-25-9-6-5-8-24(25)18-28/h5-9,12-17,26H,2-4,10-11,19-21H2,1H3