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

Systemtic Name: N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]ethanamide Openeye Name: N-butyl-2-[isopropyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-butyl-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[(4-nitroanilino)-oxomethyl]-propan-2-ylamino]acetamide IUPAC Name: N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-propan-2-ylamino]acetamide Traditional Name: N-butyl-2-[isopropyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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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)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4/c1-5-6-14-25(15-20-8-7-13-24(20)4)21(28)16-26(17(2)3)22(29)23-18-9-11-19(12-10-18)27(30)31/h7-13,17H,5-6,14-16H2,1-4H3,(H,23,29)