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

Systemtic Name: [4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C26H33N5O5S MolecularWeight: 527.63572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

InChI=1S/C26H33N5O5S/c32-25(28-11-9-27-10-12-28)23-15-21(17-30(23)26(33)24-4-2-14-37-24)29(18-22-3-1-13-36-22)16-19-5-7-20(8-6-19)31(34)35/h2,4-8,14,21-23,27H,1,3,9-13,15-18H2