N-(2,6-diethylphenyl)-2-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]acetamide Formula: C21H31N5O MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=NN3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=NN3

InChI

InChI=1S/C21H31N5O/c1-3-17-7-5-8-18(4-2)21(17)23-20(27)16-26-12-6-11-25(13-14-26)15-19-9-10-22-24-19/h5,7-10H,3-4,6,11-16H2,1-2H3,(H,22,24)(H,23,27)