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

Systemtic Name: [4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[isobutyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCNCC4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCNCC4

InChI

InChI=1S/C25H33N5O4S/c1-18(2)15-28(16-19-5-7-20(8-6-19)30(33)34)21-14-22(24(31)27-11-9-26-10-12-27)29(17-21)25(32)23-4-3-13-35-23/h3-8,13,18,21-22,26H,9-12,14-17H2,1-2H3