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

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-(4-tert-butylphenyl)methanone Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C28H29N3O2/c1-28(2,3)21-14-12-20(13-15-21)27(32)31-18-16-30(17-19-31)26-22-8-4-6-10-24(22)33-25-11-7-5-9-23(25)29-26/h4-15H,16-19H2,1-3H3