1-azanyl-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 1-azanyl-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 1-amino-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 1-amino-4-(3-fluorophenyl)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 1-amino-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 1-amino-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Formula: C17H12FN3O MolecularWeight: 293.295083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN3O/c1-22-12-5-6-13-14(8-12)16(15(9-19)21-17(13)20)10-3-2-4-11(18)7-10/h2-8H,1H3,(H2,20,21)