4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazin-1-yl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-chloropyridin-2-yl)piperazin-1-yl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazino]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one Formula: C24H29ClN4O2 MolecularWeight: 440.96566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCN(CC3)C4=NC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCN(CC3)C4=NC(=CC=C4)Cl

InChI

InChI=1S/C24H29ClN4O2/c1-18-8-9-20-21(16-18)31-17-19(2)29(24(20)30)11-4-3-10-27-12-14-28(15-13-27)23-7-5-6-22(25)26-23/h5-9,16-17H,3-4,10-15H2,1-2H3