[1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [1-(4-methylbenzoyl)-4-[o-tolylmethyl(2-thienylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(2-methylbenzyl)-(2-thenyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=CC=C4C)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=CC=C4C)CC5=CC=CS5

InChI

InChI=1S/C30H36N4O2S/c1-22-9-11-24(12-10-22)29(35)34-20-26(18-28(34)30(36)32-15-13-31-14-16-32)33(21-27-8-5-17-37-27)19-25-7-4-3-6-23(25)2/h3-12,17,26,28,31H,13-16,18-21H2,1-2H3