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

Systemtic Name: 3-methyl-4-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-benzoxazepin-5-one Openeye Name: 3-methyl-4-[3-[4-(2-pyridyl)-1-piperidyl]propyl]-1,4-benzoxazepin-5-one CAS Name: 3-methyl-4-[3-[4-(2-pyridinyl)-1-piperidinyl]propyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-methyl-4-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-benzoxazepin-5-one Traditional Name: 3-methyl-4-[3-[4-(2-pyridyl)piperidino]propyl]-1,4-benzoxazepin-5-one Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC=CC=C2C(=O)N1CCCN3CCC(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=COC2=CC=CC=C2C(=O)N1CCCN3CCC(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27N3O2/c1-18-17-28-22-9-3-2-7-20(22)23(27)26(18)14-6-13-25-15-10-19(11-16-25)21-8-4-5-12-24-21/h2-5,7-9,12,17,19H,6,10-11,13-16H2,1H3