2,3-dihydro-1,4-benzodioxin-3-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2COC3=CC=CC=C3O2)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2COC3=CC=CC=C3O2)CC4=CSC=C4

InChI

InChI=1S/C19H22N2O3S/c22-19(18-13-23-16-4-1-2-5-17(16)24-18)21-8-3-7-20(9-10-21)12-15-6-11-25-14-15/h1-2,4-6,11,14,18H,3,7-10,12-13H2