4-[4-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-7-methoxy-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-7-methoxy-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(3-chloro-2-pyridyl)piperazin-1-yl]butyl]-7-methoxy-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(3-chloro-2-pyridinyl)-1-piperazinyl]butyl]-7-methoxy-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(3-chloropyridin-2-yl)piperazin-1-yl]butyl]-7-methoxy-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(3-chloro-2-pyridyl)piperazino]butyl]-7-methoxy-1,4-benzoxazepine-3,5-quinone Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=C(C=CC=N4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C23H27ClN4O4/c1-31-17-6-7-20-18(15-17)23(30)28(21(29)16-32-20)10-3-2-9-26-11-13-27(14-12-26)22-19(24)5-4-8-25-22/h4-8,15H,2-3,9-14,16H2,1H3