7-methoxy-4-[1-(3-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 7-methoxy-4-[1-(3-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 7-methoxy-4-[1-[3-(2-pyridyl)piperazin-1-yl]propyl]-1,4-benzoxazepine-3,5-dione CAS Name: 7-methoxy-4-[1-[3-(2-pyridinyl)-1-piperazinyl]propyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 7-methoxy-4-[1-(3-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 7-methoxy-4-[1-[3-(2-pyridyl)piperazino]propyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCNC(C1)C2=CC=CC=N2)N3C(=O)COC4=C(C3=O)C=C(C=C4)OC

Isomeric SMILES

CCC(N1CCNC(C1)C2=CC=CC=N2)N3C(=O)COC4=C(C3=O)C=C(C=C4)OC

InChI

InChI=1S/C22H26N4O4/c1-3-20(25-11-10-24-18(13-25)17-6-4-5-9-23-17)26-21(27)14-30-19-8-7-15(29-2)12-16(19)22(26)28/h4-9,12,18,20,24H,3,10-11,13-14H2,1-2H3