4-(azepan-1-ylmethyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4CCCCCC4

InChI

InChI=1S/C25H30N4O2/c1-19-23(25(31)29(27(19)2)22-10-6-5-7-11-22)26-24(30)21-14-12-20(13-15-21)18-28-16-8-3-4-9-17-28/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,26,30)