ethyl 4-[[[2-(azocan-1-yl)pyridin-3-yl]methylamino]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[[2-(azocan-1-yl)pyridin-3-yl]methylamino]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[[2-(azocan-1-yl)-3-pyridyl]methylamino]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[[2-(1-azocanyl)-3-pyridinyl]methylamino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(azocan-1-yl)pyridin-3-yl]methylamino]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[[2-(azocan-1-yl)-3-pyridyl]methylamino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H29N5O2 MolecularWeight: 371.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CNCC2=C(N=CC=C2)N3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CNCC2=C(N=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H29N5O2/c1-2-27-20(26)18-17(15-23-24-18)14-21-13-16-9-8-10-22-19(16)25-11-6-4-3-5-7-12-25/h8-10,15,21H,2-7,11-14H2,1H3,(H,23,24)