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

Systemtic Name: 8-chloranyl-3-(methoxymethyl)-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-chloro-3-(methoxymethyl)-4-[4-[3-(2-pyridyl)-1-piperidyl]butyl]-1,4-benzoxazepin-5-one CAS Name: 8-chloro-3-(methoxymethyl)-4-[4-[3-(2-pyridinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-chloro-3-(methoxymethyl)-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-chloro-3-(methoxymethyl)-4-[4-[3-(2-pyridyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCCC(C3)C4=CC=CC=N4

Isomeric SMILES

COCC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCCC(C3)C4=CC=CC=N4

InChI

InChI=1S/C25H30ClN3O3/c1-31-17-21-18-32-24-15-20(26)9-10-22(24)25(30)29(21)14-5-4-12-28-13-6-7-19(16-28)23-8-2-3-11-27-23/h2-3,8-11,15,18-19H,4-7,12-14,16-17H2,1H3