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

Systemtic Name: 6-methoxy-1-oxidanylidene-4-phenyl-2-[2-(pyridin-3-ylmethylamino)ethyl]isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(3-pyridylmethylamino)ethyl]isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(3-pyridinylmethylamino)ethyl]-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(pyridin-3-ylmethylamino)ethyl]isoquinoline-3-carbonitrile Traditional Name: 1-keto-6-methoxy-4-phenyl-2-[2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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