cyclohexyl-[3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]methanone

Systemtic Name: cyclohexyl-[3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]methanone Openeye Name: cyclohexyl-[3-(2-methylbenzoyl)-4-(3-methyl-2-thienyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]methanone CAS Name: cyclohexyl-[3-[(2-methylphenyl)-oxomethyl]-4-(3-methyl-2-thiophenyl)-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]methanone IUPAC Name: cyclohexyl-[3-(2-methylbenzoyl)-4-(3-methylthiophen-2-yl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]methanone Traditional Name: cyclohexyl-[4-(3-methyl-2-thienyl)-2-(3-nitrophenyl)-3-o-toluoyl-5-(piperazine-1-carbonyl)pyrrolidino]methanone Formula: C35H40N4O5S MolecularWeight: 628.7809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCCCC4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCCCC4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6C

InChI

InChI=1S/C35H40N4O5S/c1-22-9-6-7-14-27(22)32(40)28-29(33-23(2)15-20-45-33)31(35(42)37-18-16-36-17-19-37)38(34(41)24-10-4-3-5-11-24)30(28)25-12-8-13-26(21-25)39(43)44/h6-9,12-15,20-21,24,28-31,36H,3-5,10-11,16-19H2,1-2H3