3-chloranyl-7-methyl-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-7-methyl-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-7-methyl-4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-7-methyl-4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-7-methyl-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-7-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)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC=CC=N4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C23H27ClN4O2/c1-17-7-8-20-19(14-17)23(29)28(21(24)16-30-20)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