4-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[benzyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 4-[[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl-(phenylmethyl)amino]methyl]benzonitrile IUPAC Name: 4-[[benzyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 4-[[benzyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile Formula: C28H27N3 MolecularWeight: 405.53408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27N3/c1-23-7-5-10-27(17-23)21-31-16-6-11-28(31)22-30(19-25-8-3-2-4-9-25)20-26-14-12-24(18-29)13-15-26/h2-17H,19-22H2,1H3