3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carbonyl)benzonitrile Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H20N4O2/c26-17-18-6-5-7-19(16-18)25(30)29-14-12-28(13-15-29)24-20-8-1-3-10-22(20)31-23-11-4-2-9-21(23)27-24/h1-11,16H,12-15H2