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

Systemtic Name: 6-methoxy-1-oxidanylidene-2-[3-oxidanyl-2-(pyridin-3-ylmethylamino)propyl]-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-[3-hydroxy-2-(3-pyridylmethylamino)propyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-[3-hydroxy-2-(3-pyridinylmethylamino)propyl]-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-[3-hydroxy-2-(pyridin-3-ylmethylamino)propyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[3-hydroxy-2-(3-pyridylmethylamino)propyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C26H24N4O3 MolecularWeight: 440.49376

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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)CC(CO)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CC(CO)NCC4=CN=CC=C4

InChI

InChI=1S/C26H24N4O3/c1-33-21-9-10-22-23(12-21)25(19-7-3-2-4-8-19)24(13-27)30(26(22)32)16-20(17-31)29-15-18-6-5-11-28-14-18/h2-12,14,20,29,31H,15-17H2,1H3