[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-ethyl-1-(6-methoxy-3-pyridazinyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H26N6O2S/c1-3-18-17(14-22-27(18)19-7-8-20(29-2)24-23-19)21(28)26-10-5-9-25(11-12-26)15-16-6-4-13-30-16/h4,6-8,13-14H,3,5,9-12,15H2,1-2H3