4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide CAS Name: 4-butyl-N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-prop-2-enylbenzamide IUPAC Name: 4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-butyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]benzamide Formula: C26H29ClN2O MolecularWeight: 420.97426

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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=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H29ClN2O/c1-3-5-8-21-12-14-23(15-13-21)26(30)29(16-4-2)20-25-11-7-17-28(25)19-22-9-6-10-24(27)18-22/h4,6-7,9-15,17-18H,2-3,5,8,16,19-20H2,1H3