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

Systemtic Name: 2-[(4-bromophenyl)carbamoyl-butan-2-yl-amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[(4-bromophenyl)carbamoyl-sec-butyl-amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(4-bromoanilino)-oxomethyl]-butan-2-ylamino]-N-(2-methoxyethyl)-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(4-bromophenyl)carbamoyl-butan-2-ylamino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[(4-bromophenyl)carbamoyl-sec-butyl-amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H31BrN4O3 MolecularWeight: 479.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CCOC)CC1=CC=CN1C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)N(CC(=O)N(CCOC)CC1=CC=CN1C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H31BrN4O3/c1-5-17(2)27(22(29)24-19-10-8-18(23)9-11-19)16-21(28)26(13-14-30-4)15-20-7-6-12-25(20)3/h6-12,17H,5,13-16H2,1-4H3,(H,24,29)