4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C26H33N3O3/c1-20-10-11-24-22(18-20)26(30)29(21(2)19-32-24)13-7-6-12-27-14-16-28(17-15-27)23-8-4-5-9-25(23)31-3/h4-5,8-11,18-19H,6-7,12-17H2,1-3H3