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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

InChI

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