2-methoxy-1-[3-(4-nitrophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[3-(4-nitrophenyl)-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]ethanone Openeye Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-[oxo(1-piperazinyl)methyl]-5-thiophen-2-yl-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidino]-2-methoxy-ethanone Formula: C29H30N4O6S MolecularWeight: 562.6367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C29H30N4O6S/c1-39-18-23(34)32-26(22-8-5-17-40-22)25(28(35)20-6-3-2-4-7-20)24(19-9-11-21(12-10-19)33(37)38)27(32)29(36)31-15-13-30-14-16-31/h2-12,17,24-27,30H,13-16,18H2,1H3