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

Systemtic Name: N-butan-2-yl-4-butoxy-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-butoxy-N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]benzamide IUPAC Name: N-butan-2-yl-4-butoxy-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-sec-butyl-benzamide Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)CC

InChI

InChI=1S/C27H33ClN2O2/c1-4-6-17-32-26-14-12-23(13-15-26)27(31)30(21(3)5-2)20-25-11-8-16-29(25)19-22-9-7-10-24(28)18-22/h7-16,18,21H,4-6,17,19-20H2,1-3H3