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

Systemtic Name: 4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-3-methyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazin-1-yl]butyl]-3-methyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]butyl]-3-methyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-chloropyridin-2-yl)piperazin-1-yl]butyl]-3-methyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazino]butyl]-3-methyl-1,4-benzoxazepin-5-one Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=NC(=CC=C4)Cl

Isomeric SMILES

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=NC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN4O2/c1-18-17-30-20-8-3-2-7-19(20)23(29)28(18)12-5-4-11-26-13-15-27(16-14-26)22-10-6-9-21(24)25-22/h2-3,6-10,17H,4-5,11-16H2,1H3