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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C29H31N3O2/c1-29(2,3)22-15-13-21(14-16-22)28(33)32-18-8-17-31(19-20-32)27-23-9-4-6-11-25(23)34-26-12-7-5-10-24(26)30-27/h4-7,9-16H,8,17-20H2,1-3H3