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

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

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCCC(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCCC(C3)C4=NC=CC=N4

InChI

InChI=1S/C23H27ClN4O2/c1-17-7-8-19-20(14-17)30-16-21(24)28(23(19)29)13-3-2-11-27-12-4-6-18(15-27)22-25-9-5-10-26-22/h5,7-10,14,16,18H,2-4,6,11-13,15H2,1H3