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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c1-16(2)13-25(14-20-7-6-12-24(20)5)21(28)15-26(17(3)4)22(29)23-18-8-10-19(11-9-18)27(30)31/h6-12,16-17H,13-15H2,1-5H3,(H,23,29)