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

Systemtic Name: 3-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[benzyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 3-[[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-(phenylmethyl)amino]methyl]benzonitrile IUPAC Name: 3-[[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 3-[[benzyl-[[1-(2-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=C1CN2C=CC=C2CN(CC3=CC=CC=C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC3=CC=CC=C3)CC4=CC=CC(=C4)C#N

InChI

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