3,7-dimethyl-4-[5-(4-pyridin-2-ylpiperidin-1-yl)pentyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-dimethyl-4-[5-(4-pyridin-2-ylpiperidin-1-yl)pentyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dimethyl-4-[5-[4-(2-pyridyl)-1-piperidyl]pentyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dimethyl-4-[5-[4-(2-pyridinyl)-1-piperidinyl]pentyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dimethyl-4-[5-(4-pyridin-2-ylpiperidin-1-yl)pentyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dimethyl-4-[5-[4-(2-pyridyl)piperidino]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)CCCCCN3CCC(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCCN3CCC(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C26H33N3O2/c1-20-9-10-25-23(18-20)26(30)29(21(2)19-31-25)15-7-3-6-14-28-16-11-22(12-17-28)24-8-4-5-13-27-24/h4-5,8-10,13,18-19,22H,3,6-7,11-12,14-17H2,1-2H3