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

Systemtic Name: 3-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-methyl-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-methyl-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCC(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCC(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N4O2/c1-18-17-29-21-8-3-2-7-20(21)23(28)27(18)14-5-4-13-26-15-9-19(10-16-26)22-24-11-6-12-25-22/h2-3,6-8,11-12,17,19H,4-5,9-10,13-16H2,1H3