2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-3-pyridin-3-yl-N-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-3-pyridin-3-yl-N-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-oxo-3-(3-pyridyl)-N-(4-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-1-oxo-3-(3-pyridinyl)-N-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-oxo-3-pyridin-3-yl-N-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-keto-3-(3-pyridyl)-N-(4-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(C(C4=CC=CC=C4C3=O)C(=O)NCC5=CC=NC=C5)C6=CN=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(C(C4=CC=CC=C4C3=O)C(=O)NCC5=CC=NC=C5)C6=CN=CC=C6

InChI

InChI=1S/C28H22N4O4/c33-27(31-15-18-9-12-29-13-10-18)25-21-5-1-2-6-22(21)28(34)32(26(25)19-4-3-11-30-16-19)20-7-8-23-24(14-20)36-17-35-23/h1-14,16,25-26H,15,17H2,(H,31,33)