3-chloranyl-8-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-8-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-8-methyl-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-8-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-8-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-8-methyl-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCC(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCC(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27ClN4O2/c1-17-5-6-19-20(15-17)30-16-21(24)28(23(19)29)12-3-2-11-27-13-7-18(8-14-27)22-25-9-4-10-26-22/h4-6,9-10,15-16,18H,2-3,7-8,11-14H2,1H3