6-methoxy-1-oxidanylidene-4-phenyl-2-[2-(pyridin-4-ylmethylamino)ethyl]isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-1-oxidanylidene-4-phenyl-2-[2-(pyridin-4-ylmethylamino)ethyl]isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(4-pyridylmethylamino)ethyl]isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(pyridin-4-ylmethylamino)ethyl]-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(pyridin-4-ylmethylamino)ethyl]isoquinoline-3-carbonitrile Traditional Name: 1-keto-6-methoxy-4-phenyl-2-[2-(4-pyridylmethylamino)ethyl]isoquinoline-3-carbonitrile Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNCC4=CC=NC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNCC4=CC=NC=C4

InChI

InChI=1S/C25H22N4O2/c1-31-20-7-8-21-22(15-20)24(19-5-3-2-4-6-19)23(16-26)29(25(21)30)14-13-28-17-18-9-11-27-12-10-18/h2-12,15,28H,13-14,17H2,1H3