(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(4-tert-butylphenyl)methanone

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(4-tert-butylphenyl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(4-tert-butylphenyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-(4-tert-butylphenyl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-(4-tert-butylphenyl)methanone Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C29H31N3O2/c1-20-19-31(17-18-32(20)28(33)21-13-15-22(16-14-21)29(2,3)4)27-23-9-5-7-11-25(23)34-26-12-8-6-10-24(26)30-27/h5-16,20H,17-19H2,1-4H3