4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-3-methyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-3-methyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[3-(6-chloro-2-pyridyl)-1-piperidyl]butyl]-3-methyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[3-(6-chloro-2-pyridinyl)-1-piperidinyl]butyl]-3-methyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[3-(6-chloropyridin-2-yl)piperidin-1-yl]butyl]-3-methyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[3-(6-chloro-2-pyridyl)piperidino]butyl]-3-methyl-1,4-benzoxazepin-5-one Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl

Isomeric SMILES

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl

InChI

InChI=1S/C24H28ClN3O2/c1-18-17-30-22-11-3-2-9-20(22)24(29)28(18)15-5-4-13-27-14-7-8-19(16-27)21-10-6-12-23(25)26-21/h2-3,6,9-12,17,19H,4-5,7-8,13-16H2,1H3