8-methoxy-4-[5-(4-pyridin-2-ylpiperidin-1-yl)pentyl]-1,4-benzoxazepin-5-one

Systemtic Name: 8-methoxy-4-[5-(4-pyridin-2-ylpiperidin-1-yl)pentyl]-1,4-benzoxazepin-5-one Openeye Name: 8-methoxy-4-[5-[4-(2-pyridyl)-1-piperidyl]pentyl]-1,4-benzoxazepin-5-one CAS Name: 8-methoxy-4-[5-[4-(2-pyridinyl)-1-piperidinyl]pentyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-methoxy-4-[5-(4-pyridin-2-ylpiperidin-1-yl)pentyl]-1,4-benzoxazepin-5-one Traditional Name: 8-methoxy-4-[5-[4-(2-pyridyl)piperidino]pentyl]-1,4-benzoxazepin-5-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCCN3CCC(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCCN3CCC(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H31N3O3/c1-30-21-8-9-22-24(19-21)31-18-17-28(25(22)29)14-6-2-5-13-27-15-10-20(11-16-27)23-7-3-4-12-26-23/h3-4,7-9,12,17-20H,2,5-6,10-11,13-16H2,1H3