1-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(4-isobutylbenzoyl)-1-piperidyl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-[[4-(2-methylpropyl)phenyl]-oxomethyl]-1-piperidinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(4-isobutylbenzoyl)piperidino]-3-(2-nitroanilino)propan-1-one Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O4/c1-18(2)17-19-7-9-20(10-8-19)25(30)21-12-15-27(16-13-21)24(29)11-14-26-22-5-3-4-6-23(22)28(31)32/h3-10,18,21,26H,11-17H2,1-2H3