N-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-(diethylamino)propyl]-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H35N3O5/c1-6-29(7-2)15-9-14-28-26(31)23-18-30(19-10-12-20(13-11-19)35-8-3)27(32)22-17-25(34-5)24(33-4)16-21(22)23/h10-13,16-18H,6-9,14-15H2,1-5H3,(H,28,31)