N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-pentyl-benzamide

Systemtic Name: N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-pentyl-benzamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-pentyl-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-4-pentylbenzamide IUPAC Name: N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-sec-butyl-benzamide Formula: C28H35ClN2O MolecularWeight: 451.0433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)CC

InChI

InChI=1S/C28H35ClN2O/c1-4-6-7-10-23-14-16-25(17-15-23)28(32)31(22(3)5-2)21-27-13-9-18-30(27)20-24-11-8-12-26(29)19-24/h8-9,11-19,22H,4-7,10,20-21H2,1-3H3