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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

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