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

Systemtic Name: 2-[[3-methylbutyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[isopentyl-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 2-[[3-methylbutyl-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]amino]methyl]benzonitrile IUPAC Name: 2-[[3-methylbutyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 2-[[isoamyl-[[1-(4-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=C(C=C1)CN2C=CC=C2CN(CCC(C)C)CC3=CC=CC=C3C#N

Isomeric SMILES

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

InChI

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