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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-N-(pyridin-4-ylmethyl)-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-oxo-N-(4-pyridylmethyl)-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-3-(3-thiophenyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-keto-N-(4-pyridylmethyl)-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H21N3O4S MolecularWeight: 483.53834

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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=CSC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O4S/c31-26(29-14-17-7-10-28-11-8-17)24-20-3-1-2-4-21(20)27(32)30(25(24)18-9-12-35-15-18)19-5-6-22-23(13-19)34-16-33-22/h1-13,15,24-25H,14,16H2,(H,29,31)