3-tert-butyl-5-(phenylmethyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 3-tert-butyl-5-(phenylmethyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-benzyl-3-tert-butyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-tert-butyl-5-(phenylmethyl)-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-benzyl-3-tert-butyl-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-benzyl-3-tert-butyl-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC3=C(C=CC=C3N4CCNCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC3=C(C=CC=C3N4CCNCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2/c1-28(2,3)21-12-13-25-24(18-21)31(19-20-8-5-4-6-9-20)27(32)22-10-7-11-23(26(22)33-25)30-16-14-29-15-17-30/h4-13,18,29H,14-17,19H2,1-3H3