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

Systemtic Name: 3-[[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[isopentyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 3-[[3-methylbutyl-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 3-[[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(=C3)C#N

Isomeric SMILES

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

InChI

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