[1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[(3-methoxyphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [1-m-anisoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidin-2-yl]-piperazino-methanone Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C29H33N5O5S/c1-39-25-5-2-4-22(16-25)28(35)33-19-24(17-27(33)29(36)31-13-11-30-12-14-31)32(20-26-6-3-15-40-26)18-21-7-9-23(10-8-21)34(37)38/h2-10,15-16,24,27,30H,11-14,17-20H2,1H3