3-[2-(7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-(thiophen-2-ylmethyl)piperazin-2-one

Systemtic Name: 3-[2-(7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-(thiophen-2-ylmethyl)piperazin-2-one Openeye Name: 3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxo-ethyl]-4-(2-thienylmethyl)piperazin-2-one CAS Name: 3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)-2-piperazinone IUPAC Name: 3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)piperazin-2-one Traditional Name: 3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-keto-ethyl]-4-(2-thenyl)piperazin-2-one Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)N2CCOC3=C(C2)C=C(C=C3)Cl)CC4=CC=CS4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)N2CCOC3=C(C2)C=C(C=C3)Cl)CC4=CC=CS4

InChI

InChI=1S/C20H22ClN3O3S/c21-15-3-4-18-14(10-15)12-24(7-8-27-18)19(25)11-17-20(26)22-5-6-23(17)13-16-2-1-9-28-16/h1-4,9-10,17H,5-8,11-13H2,(H,22,26)