4-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-butyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: 4-butyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-N-prop-2-enylbenzamide IUPAC Name: 4-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-butyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]benzamide Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC=CC=C3C

InChI

InChI=1S/C27H32N2O/c1-4-6-11-23-14-16-24(17-15-23)27(30)29(18-5-2)21-26-13-9-19-28(26)20-25-12-8-7-10-22(25)3/h5,7-10,12-17,19H,2,4,6,11,18,20-21H2,1,3H3