methyl 3-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H27N5O3/c1-32-24(31)19-5-6-21(28-10-2-3-11-28)20(14-19)27-23(30)18-8-12-29(13-9-18)22-7-4-17(15-25)16-26-22/h4-7,14,16,18H,2-3,8-13H2,1H3,(H,27,30)