2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c1-22-26(23(2)32(29-22)25-12-7-4-8-13-25)20-30-16-9-17-31(19-18-30)21-27(33)28-15-14-24-10-5-3-6-11-24/h3-8,10-13H,9,14-21H2,1-2H3,(H,28,33)