1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[4-(2-methoxyethyl)-1-piperazinyl]-2-[7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 1-[4-(2-methoxyethyl)piperazino]-2-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)CC(=O)N3CCN(CC3)CCOC)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)CC(=O)N3CCN(CC3)CCOC)C4=CSC=C4

InChI

InChI=1S/C23H31N3O3S/c1-18-3-4-21-20(13-18)14-25(15-22(29-21)19-5-12-30-17-19)16-23(27)26-8-6-24(7-9-26)10-11-28-2/h3-5,12-13,17,22H,6-11,14-16H2,1-2H3