N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(4-methylphenyl)carbonylamino]pyrazine-2-carboxamide

Systemtic Name: N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(4-methylphenyl)carbonylamino]pyrazine-2-carboxamide Openeye Name: N-[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide CAS Name: N-[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidinyl]-3-[[(4-methylphenyl)-oxomethyl]amino]-2-pyrazinecarboxamide IUPAC Name: N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide Traditional Name: N-(1-o-veratryl-4-piperidyl)-3-(p-toluoylamino)pyrazinamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NC3CCN(CC3)CC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NC3CCN(CC3)CC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C27H31N5O4/c1-18-7-9-19(10-8-18)26(33)31-25-23(28-13-14-29-25)27(34)30-21-11-15-32(16-12-21)17-20-5-4-6-22(35-2)24(20)36-3/h4-10,13-14,21H,11-12,15-17H2,1-3H3,(H,30,34)(H,29,31,33)