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

Systemtic Name: 4-[(4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile CAS Name: 4-[(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile IUPAC Name: 4-[(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-5H-pyrimid[5,4-b]indol-3-yl)methyl]benzonitrile Formula: C18H12N4O MolecularWeight: 300.31408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H12N4O/c19-9-12-5-7-13(8-6-12)10-22-11-20-16-14-3-1-2-4-15(14)21-17(16)18(22)23/h1-8,11,21H,10H2