4-[4-[3-(6-oxidanylidene-5H-phenanthridin-2-yl)propyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-(6-oxidanylidene-5H-phenanthridin-2-yl)propyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[3-(6-oxo-5H-phenanthridin-2-yl)propyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[3-(6-oxo-5H-phenanthridin-2-yl)propyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[3-(6-oxo-5H-phenanthridin-2-yl)propyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[3-(6-keto-5H-phenanthridin-2-yl)propyl]piperazino]benzonitrile Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC3=C(C=C2)NC(=O)C4=CC=CC=C43)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1CCCC2=CC3=C(C=C2)NC(=O)C4=CC=CC=C43)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H26N4O/c28-19-21-7-10-22(11-8-21)31-16-14-30(15-17-31)13-3-4-20-9-12-26-25(18-20)23-5-1-2-6-24(23)27(32)29-26/h1-2,5-12,18H,3-4,13-17H2,(H,29,32)