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

Systemtic Name: 7-chloranyl-3-(methoxymethyl)-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 7-chloro-3-(methoxymethyl)-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 7-chloro-3-(methoxymethyl)-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 7-chloro-3-(methoxymethyl)-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 7-chloro-3-(methoxymethyl)-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C24H29ClN4O3 MolecularWeight: 456.96506

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=COC2=C(C=C(C=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COCC1=COC2=C(C=C(C=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H29ClN4O3/c1-31-17-20-18-32-22-8-7-19(25)16-21(22)24(30)29(20)11-5-4-10-27-12-14-28(15-13-27)23-6-2-3-9-26-23/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3