[4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[benzyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[oxo(3-pyridinyl)methyl]-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[benzyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[benzyl(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H31N5O2S/c33-26(22-8-4-10-29-17-22)32-19-23(16-25(32)27(34)30-13-11-28-12-14-30)31(20-24-9-5-15-35-24)18-21-6-2-1-3-7-21/h1-10,15,17,23,25,28H,11-14,16,18-20H2