4-[(7-azanyl-4-methyl-1-oxidanylidene-isoquinolin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-azanyl-4-methyl-1-oxidanylidene-isoquinolin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(7-amino-4-methyl-1-oxo-2-isoquinolyl)methyl]benzonitrile CAS Name: 4-[(7-amino-4-methyl-1-oxo-2-isoquinolinyl)methyl]benzonitrile IUPAC Name: 4-[(7-amino-4-methyl-1-oxoisoquinolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(7-amino-1-keto-4-methyl-2-isoquinolyl)methyl]benzonitrile Formula: C18H15N3O MolecularWeight: 289.3312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1C=CC(=C2)N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CN(C(=O)C2=C1C=CC(=C2)N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O/c1-12-10-21(11-14-4-2-13(9-19)3-5-14)18(22)17-8-15(20)6-7-16(12)17/h2-8,10H,11,20H2,1H3