3-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H22N4O2/c1-18-9-10-22-24(15-18)32-23-8-3-2-7-21(23)25(28-22)29-11-13-30(14-12-29)26(31)20-6-4-5-19(16-20)17-27/h2-10,15-16H,11-14H2,1H3