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

Systemtic Name: [4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [1-nicotinoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidin-2-yl]-piperazino-methanone Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C27H30N6O4S/c34-26(21-3-1-9-29-16-21)32-18-23(15-25(32)27(35)30-12-10-28-11-13-30)31(19-24-4-2-14-38-24)17-20-5-7-22(8-6-20)33(36)37/h1-9,14,16,23,25,28H,10-13,15,17-19H2