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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(phenylmethyl)carbamoyl-propan-2-yl-amino]ethanamide Openeye Name: 2-[benzylcarbamoyl(isopropyl)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]-propan-2-ylamino]acetamide IUPAC Name: 2-[benzylcarbamoyl(propan-2-yl)amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butylacetamide Traditional Name: 2-[benzylcarbamoyl(isopropyl)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(C(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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