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

Systemtic Name: 5-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[4-(3-thenyl)piperazino]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c24-19-5-11-26-18-4-2-1-3-17(18)23(19)14-20(25)22-9-7-21(8-10-22)13-16-6-12-27-15-16/h1-4,6,12,15H,5,7-11,13-14H2