2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CN2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CN2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O2/c1-15-21(16(2)24(3)23-15)22-20(26)14-25-13-7-5-6-8-19(25)17-9-11-18(27-4)12-10-17/h9-12,19H,5-8,13-14H2,1-4H3,(H,22,26)/t19-/m1/s1