N-(3-methoxyphenyl)-7-(pyridin-4-ylcarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-7-(pyridin-4-ylcarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-(3-methoxyphenyl)-7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-(3-methoxyphenyl)-7-[[oxo(pyridin-4-yl)methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(3-methoxyphenyl)-7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 7-isonicotinamido-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4O3/c1-30-21-4-2-3-19(14-21)26-23(29)27-12-9-16-5-6-20(13-18(16)15-27)25-22(28)17-7-10-24-11-8-17/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,25,28)(H,26,29)