4-(3-fluorophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 4-(3-fluorophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 4-(3-fluorophenyl)-6-methoxy-2-(2-morpholinoethyl)-1-oxo-isoquinoline-3-carbonitrile CAS Name: 4-(3-fluorophenyl)-6-methoxy-2-[2-(4-morpholinyl)ethyl]-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 4-(3-fluorophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-1-keto-6-methoxy-2-(2-morpholinoethyl)isoquinoline-3-carbonitrile Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)CCN4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)CCN4CCOCC4

InChI

InChI=1S/C23H22FN3O3/c1-29-18-5-6-19-20(14-18)22(16-3-2-4-17(24)13-16)21(15-25)27(23(19)28)8-7-26-9-11-30-12-10-26/h2-6,13-14H,7-12H2,1H3