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

Systemtic Name: 3-(chloromethyl)-8-methyl-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methyl-4-[4-[3-(2-pyridyl)-1-piperidyl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methyl-4-[4-[3-(2-pyridinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methyl-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methyl-4-[4-[3-(2-pyridyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2/c1-19-9-10-22-24(15-19)31-18-21(16-26)29(25(22)30)14-5-4-12-28-13-6-7-20(17-28)23-8-2-3-11-27-23/h2-3,8-11,15,18,20H,4-7,12-14,16-17H2,1H3