2-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)C(C)C

InChI

InChI=1S/C23H27N3O2/c1-16(2)23(27)26-12-6-11-25(13-14-26)22-18-15-17(3)9-10-20(18)28-21-8-5-4-7-19(21)24-22/h4-5,7-10,15-16H,6,11-14H2,1-3H3