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

Systemtic Name: 2-[[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[isopentyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 2-[[3-methylbutyl-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]amino]methyl]benzonitrile IUPAC Name: 2-[[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 2-[[isoamyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile Formula: C26H31N3 MolecularWeight: 385.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CCC(C)C)CC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CCC(C)C)CC3=CC=CC=C3C#N

InChI

InChI=1S/C26H31N3/c1-21(2)14-16-28(18-25-12-7-6-10-23(25)17-27)20-26-13-8-15-29(26)19-24-11-5-4-9-22(24)3/h4-13,15,21H,14,16,18-20H2,1-3H3