1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 1-(4-piperonylpiperazino)-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4CC(OC5=CC=CC=C5C4)C6=CSC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4CC(OC5=CC=CC=C5C4)C6=CSC=C6

InChI

InChI=1S/C27H29N3O4S/c31-27(30-10-8-28(9-11-30)14-20-5-6-24-25(13-20)33-19-32-24)17-29-15-21-3-1-2-4-23(21)34-26(16-29)22-7-12-35-18-22/h1-7,12-13,18,26H,8-11,14-17,19H2