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

Systemtic Name: [4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-nitrophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-nitrobenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C29H33N5O4S MolecularWeight: 547.66842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H33N5O4S/c35-28(31-16-13-30-14-17-31)26-19-25(21-33(26)29(36)27-7-4-18-39-27)32(15-12-22-5-2-1-3-6-22)20-23-8-10-24(11-9-23)34(37)38/h1-11,18,25-26,30H,12-17,19-21H2