2-[(5-oxidanylidene-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-7-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-oxidanylidene-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-7-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(5-oxo-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-7-yl)methyl]benzonitrile CAS Name: 2-[(5-oxo-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-7-yl)methyl]benzonitrile IUPAC Name: 2-[(5-oxo-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-7-yl)methyl]benzonitrile Traditional Name: 2-[(5-keto-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-7-yl)methyl]benzonitrile Formula: C24H19N3O MolecularWeight: 365.42716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3N1C4=CC=CC=C4C(=O)N3)CC5=CC=CC=C5C#N

Isomeric SMILES

C1C2=CC=CC=C2C(C3N1C4=CC=CC=C4C(=O)N3)CC5=CC=CC=C5C#N

InChI

InChI=1S/C24H19N3O/c25-14-17-8-2-1-7-16(17)13-21-19-10-4-3-9-18(19)15-27-22-12-6-5-11-20(22)24(28)26-23(21)27/h1-12,21,23H,13,15H2,(H,26,28)