3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carbonyl]benzonitrile Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C28H26N4O3/c1-18-7-10-24-26(13-18)35-25-15-22(34-3)8-9-23(25)27(30-24)31-11-12-32(19(2)17-31)28(33)21-6-4-5-20(14-21)16-29/h4-10,13-15,19H,11-12,17H2,1-3H3