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

Systemtic Name: 2-[2-(cyclopropylamino)ethyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-[2-(cyclopropylamino)ethyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-[2-(cyclopropylamino)ethyl]-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-[2-(cyclopropylamino)ethyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[2-(cyclopropylamino)ethyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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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)CCNC4CC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNC4CC4

InChI

InChI=1S/C22H21N3O2/c1-27-17-9-10-18-19(13-17)21(15-5-3-2-4-6-15)20(14-23)25(22(18)26)12-11-24-16-7-8-16/h2-6,9-10,13,16,24H,7-8,11-12H2,1H3