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

Systemtic Name: 2-(4-methoxyphenyl)-1-oxidanylidene-N-(pyridin-4-ylmethyl)-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-1-oxo-N-(4-pyridylmethyl)-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-1-oxo-N-(pyridin-4-ylmethyl)-3-(3-thiophenyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(4-methoxyphenyl)-1-oxo-N-(pyridin-4-ylmethyl)-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-(4-methoxyphenyl)-N-(4-pyridylmethyl)-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H23N3O3S MolecularWeight: 469.55482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=NC=C4)C5=CSC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=NC=C4)C5=CSC=C5

InChI

InChI=1S/C27H23N3O3S/c1-33-21-8-6-20(7-9-21)30-25(19-12-15-34-17-19)24(22-4-2-3-5-23(22)27(30)32)26(31)29-16-18-10-13-28-14-11-18/h2-15,17,24-25H,16H2,1H3,(H,29,31)