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

Systemtic Name: 2-[3-(dimethylamino)-2-oxidanyl-propyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-[3-(dimethylamino)-2-hydroxy-propyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-[3-(dimethylamino)-2-hydroxypropyl]-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-[3-(dimethylamino)-2-hydroxypropyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[3-(dimethylamino)-2-hydroxy-propyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CN(C)CC(CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C22H23N3O3/c1-24(2)13-16(26)14-25-20(12-23)21(15-7-5-4-6-8-15)19-11-17(28-3)9-10-18(19)22(25)27/h4-11,16,26H,13-14H2,1-3H3