5-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3C(=O)CCOC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3C(=O)CCOC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3/c1-18-6-2-3-7-19(18)16-24-11-13-25(14-12-24)23(28)17-26-20-8-4-5-9-21(20)29-15-10-22(26)27/h2-9H,10-17H2,1H3