1-(1H-pyrazol-5-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(1H-pyrazol-5-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(1H-pyrazol-5-ylmethyl)-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-(1H-pyrazol-5-ylmethyl)-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(1H-pyrazol-5-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(1H-pyrazol-5-ylmethyl)-4-(3-thenyl)-1,4-diazepane Formula: C14H20N4S MolecularWeight: 276.4004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=NN2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=NN2)CC3=CSC=C3

InChI

InChI=1S/C14H20N4S/c1-5-17(10-13-3-9-19-12-13)7-8-18(6-1)11-14-2-4-15-16-14/h2-4,9,12H,1,5-8,10-11H2,(H,15,16)