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

Systemtic Name: [4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: piperazin-1-yl-[4-[p-tolylmethyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-methylbenzyl)-(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C28H33N5O2S/c1-21-6-8-22(9-7-21)18-32(20-25-5-3-15-36-25)24-16-26(28(35)31-13-11-29-12-14-31)33(19-24)27(34)23-4-2-10-30-17-23/h2-10,15,17,24,26,29H,11-14,16,18-20H2,1H3