2-(2-azanyl-3-oxidanyl-propyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 2-(2-azanyl-3-oxidanyl-propyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-(2-amino-3-hydroxy-propyl)-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-(2-amino-3-hydroxypropyl)-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-(2-amino-3-hydroxypropyl)-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-(2-amino-3-hydroxy-propyl)-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23(20(16)25)11-14(22)12-24/h2-9,14,24H,11-12,22H2,1H3