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

Systemtic Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]sulfonylbenzonitrile Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C27H26N4O3S/c1-18-9-11-24-22(14-18)27(29-23-10-8-19(2)15-25(23)34-24)30-12-13-31(20(3)17-30)35(32,33)26-7-5-4-6-21(26)16-28/h4-11,14-15,20H,12-13,17H2,1-3H3