3-(8-methoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(8-methoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-8-methoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=C(C=C2)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=C(C=C2)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H15N3O2/c1-21-16-9-14(23-2)6-7-15(16)18(20-11-17(21)22)13-5-3-4-12(8-13)10-19/h3-9H,11H2,1-2H3