4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[3-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCN2C=COC3=CC=CC=C3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CC(CN(C1)CCCCN2C=COC3=CC=CC=C3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C22H26N4O2/c27-22-19-8-1-2-9-20(19)28-16-15-26(22)14-4-3-12-25-13-5-7-18(17-25)21-23-10-6-11-24-21/h1-2,6,8-11,15-16,18H,3-5,7,12-14,17H2