2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[4-(azepan-1-ylmethyl)-1-piperidyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[4-(1-azepanylmethyl)-1-piperidinyl]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-[4-(azepan-1-ylmethyl)piperidino]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H37N5O MolecularWeight: 375.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C21H37N5O/c1-16-20(17(2)24(4)23-16)22-21(27)18(3)26-13-9-19(10-14-26)15-25-11-7-5-6-8-12-25/h18-19H,5-15H2,1-4H3,(H,22,27)