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

Systemtic Name: 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c1-18-6-9-23-25(14-18)34-24-16-21(33-2)7-8-22(24)26(29-23)30-10-12-31(13-11-30)27(32)20-5-3-4-19(15-20)17-28/h3-9,14-16H,10-13H2,1-2H3