5-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

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