N-butyl-2-[(4-chlorophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: N-butyl-2-[(4-chlorophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: N-butyl-2-[(4-chlorophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-butyl-2-[[(4-chloroanilino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: N-butyl-2-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-butyl-2-[(4-chlorophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H31ClN4O2/c1-5-6-14-26(15-20-8-7-13-25(20)4)21(28)16-27(17(2)3)22(29)24-19-11-9-18(23)10-12-19/h7-13,17H,5-6,14-16H2,1-4H3,(H,24,29)