2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]sulfonylbenzonitrile Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H24N4O3S/c1-18-8-10-23-21(15-18)26(28-22-9-7-19(2)16-24(22)33-23)29-11-13-30(14-12-29)34(31,32)25-6-4-3-5-20(25)17-27/h3-10,15-16H,11-14H2,1-2H3