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

Systemtic Name: 8-methoxy-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-methoxy-4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-methoxy-4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-methoxy-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-methoxy-4-[4-[3-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCN3CCCC(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCN3CCCC(C3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N4O3/c1-29-19-7-8-20-21(16-19)30-15-14-27(23(20)28)13-3-2-11-26-12-4-6-18(17-26)22-24-9-5-10-25-22/h5,7-10,14-16,18H,2-4,6,11-13,17H2,1H3