3-[[(3-cyanophenyl)methyl-(6-oxidanylidene-5,10b-dihydro-4aH-phenanthridin-2-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(3-cyanophenyl)methyl-(6-oxidanylidene-5,10b-dihydro-4aH-phenanthridin-2-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(3-cyanophenyl)methyl-(6-oxo-5,10b-dihydro-4aH-phenanthridin-2-yl)amino]methyl]benzonitrile CAS Name: 3-[[(3-cyanophenyl)methyl-(6-oxo-5,10b-dihydro-4aH-phenanthridin-2-yl)amino]methyl]benzonitrile IUPAC Name: 3-[[(3-cyanophenyl)methyl-(6-oxo-5,10b-dihydro-4aH-phenanthridin-2-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(3-cyanobenzyl)-(6-keto-5,10b-dihydro-4aH-phenanthridin-2-yl)amino]methyl]benzonitrile Formula: C29H22N4O MolecularWeight: 442.51118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3C=C(C=CC3NC2=O)N(CC4=CC=CC(=C4)C#N)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3C=C(C=CC3NC2=O)N(CC4=CC=CC(=C4)C#N)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H22N4O/c30-16-20-5-3-7-22(13-20)18-33(19-23-8-4-6-21(14-23)17-31)24-11-12-28-27(15-24)25-9-1-2-10-26(25)29(34)32-28/h1-15,27-28H,18-19H2,(H,32,34)