1-[7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[7-[[4-(2-hydroxyethyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-(2-thienyl)butan-1-one Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CCO)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C24H33N3O3S/c28-14-12-25-8-10-26(11-9-25)18-20-6-7-23-21(17-20)19-27(13-15-30-23)24(29)5-1-3-22-4-2-16-31-22/h2,4,6-7,16-17,28H,1,3,5,8-15,18-19H2