N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H31N5O MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H31N5O/c1-16-19(17(2)25(3)24-16)9-11-21(27)23-15-18-8-10-20(22-14-18)26-12-6-4-5-7-13-26/h8,10,14H,4-7,9,11-13,15H2,1-3H3,(H,23,27)