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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(phenylmethyl)carbamoyl-propan-2-yl-amino]ethanamide Openeye Name: 2-[benzylcarbamoyl(isopropyl)amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-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-cyclohexylacetamide Traditional Name: 2-[benzylcarbamoyl(isopropyl)amino]-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide Formula: C31H39BrN4O2 MolecularWeight: 579.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H39BrN4O2/c1-24(2)35(31(38)33-20-25-10-5-3-6-11-25)23-30(37)36(28-12-7-4-8-13-28)22-29-14-9-19-34(29)21-26-15-17-27(32)18-16-26/h3,5-6,9-11,14-19,24,28H,4,7-8,12-13,20-23H2,1-2H3,(H,33,38)