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

Systemtic Name: 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[3-[4-(2-pyridyl)piperazino]propyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H24N4O3/c26-20-16-28-18-7-2-1-6-17(18)21(27)25(20)11-5-10-23-12-14-24(15-13-23)19-8-3-4-9-22-19/h1-4,6-9H,5,10-16H2