N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(phenylmethyl)carbamoyl-propyl-amino]ethanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(phenylmethyl)carbamoyl-propyl-amino]ethanamide Openeye Name: 2-[benzylcarbamoyl(propyl)amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-2-[[oxo-[(phenylmethyl)amino]methyl]-propylamino]acetamide IUPAC Name: 2-[benzylcarbamoyl(propyl)amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butylacetamide Traditional Name: 2-[benzylcarbamoyl(propyl)amino]-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-acetamide Formula: C29H37BrN4O2 MolecularWeight: 553.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H37BrN4O2/c1-3-5-18-33(22-27-12-9-19-32(27)21-25-13-15-26(30)16-14-25)28(35)23-34(17-4-2)29(36)31-20-24-10-7-6-8-11-24/h6-16,19H,3-5,17-18,20-23H2,1-2H3,(H,31,36)