[1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[(4-methylphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-nitrobenzyl)-(2-thenyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C29H33N5O4S MolecularWeight: 547.66842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C29H33N5O4S/c1-21-4-8-23(9-5-21)28(35)33-19-25(17-27(33)29(36)31-14-12-30-13-15-31)32(20-26-3-2-16-39-26)18-22-6-10-24(11-7-22)34(37)38/h2-11,16,25,27,30H,12-15,17-20H2,1H3