4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzenecarbonitrile

Systemtic Name: 4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzenecarbonitrile Openeye Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzonitrile CAS Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzonitrile IUPAC Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzonitrile Traditional Name: 4-(4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzonitrile Formula: C26H22N2O MolecularWeight: 378.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C#N)C(=O)C1)C

InChI

InChI=1S/C26H22N2O/c1-26(2)13-20-23-19-6-4-3-5-17(19)11-12-21(23)28-25(24(20)22(29)14-26)18-9-7-16(15-27)8-10-18/h3-12,25,28H,13-14H2,1-2H3