N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(4-methylphenyl)carbonylamino]pyrazine-2-carboxamide

Systemtic Name: N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(4-methylphenyl)carbonylamino]pyrazine-2-carboxamide Openeye Name: N-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide CAS Name: N-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]-3-[[(4-methylphenyl)-oxomethyl]amino]-2-pyrazinecarboxamide IUPAC Name: N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide Traditional Name: N-[1-(2,5-dimethoxybenzyl)-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/c1-18-4-6-19(7-5-18)26(33)31-25-24(28-12-13-29-25)27(34)30-21-10-14-32(15-11-21)17-20-16-22(35-2)8-9-23(20)36-3/h4-9,12-13,16,21H,10-11,14-15,17H2,1-3H3,(H,30,34)(H,29,31,33)