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

Systemtic Name: [4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[m-anisyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

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