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

Systemtic Name: 2-[4-[[4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[[4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[[4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[[4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[[4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanol Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=CC3=C(C=C2)OCCN(C3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN1CCO)CC2=CC3=C(C=C2)OCCN(C3)CC4=CSC=C4

InChI

InChI=1S/C21H29N3O2S/c25-10-8-22-4-6-23(7-5-22)14-18-1-2-21-20(13-18)16-24(9-11-26-21)15-19-3-12-27-17-19/h1-3,12-13,17,25H,4-11,14-16H2