2-[(4-bromophenyl)carbamoyl-butan-2-yl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)carbamoyl-butan-2-yl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[(4-bromophenyl)carbamoyl-sec-butyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(4-bromoanilino)-oxomethyl]-butan-2-ylamino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(4-bromophenyl)carbamoyl-butan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[(4-bromophenyl)carbamoyl-sec-butyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H29BrN4O2 MolecularWeight: 461.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H29BrN4O2/c1-4-16(2)26(22(29)24-18-9-7-17(23)8-10-18)15-21(28)27(19-11-12-19)14-20-6-5-13-25(20)3/h5-10,13,16,19H,4,11-12,14-15H2,1-3H3,(H,24,29)