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

Systemtic Name: 3-(chloromethyl)-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-4-[4-[3-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2/c24-15-19-17-30-21-9-2-1-8-20(21)23(29)28(19)14-4-3-12-27-13-5-7-18(16-27)22-25-10-6-11-26-22/h1-2,6,8-11,17-18H,3-5,7,12-16H2