3,7-dimethyl-4-[5-(4-phenylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-dimethyl-4-[5-(4-phenylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dimethyl-4-[5-(4-phenylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dimethyl-4-[5-(4-phenyl-1-piperazinyl)pentyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dimethyl-4-[5-(4-phenylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dimethyl-4-[5-(4-phenylpiperazino)pentyl]-1,4-benzoxazepin-5-one Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCCN3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCCN3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H33N3O2/c1-21-11-12-25-24(19-21)26(30)29(22(2)20-31-25)14-8-4-7-13-27-15-17-28(18-16-27)23-9-5-3-6-10-23/h3,5-6,9-12,19-20H,4,7-8,13-18H2,1-2H3