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

Systemtic Name: 2-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazino]sulfonylbenzonitrile Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H24N4O4S/c1-18-7-9-22-24(15-18)34-23-10-8-20(33-2)16-21(23)26(28-22)29-11-13-30(14-12-29)35(31,32)25-6-4-3-5-19(25)17-27/h3-10,15-16H,11-14H2,1-2H3