4-[(8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile CAS Name: 4-[(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile IUPAC Name: 4-[(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-8-methoxy-5H-pyrimid[5,4-b]indol-3-yl)methyl]benzonitrile Formula: C19H14N4O2 MolecularWeight: 330.34006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H14N4O2/c1-25-14-6-7-16-15(8-14)17-18(22-16)19(24)23(11-21-17)10-13-4-2-12(9-20)3-5-13/h2-8,11,22H,10H2,1H3