1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethane-1,2-dione

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethane-1,2-dione Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethane-1,2-dione CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethane-1,2-dione IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethane-1,2-dione Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-19-23(20(2)29(26-19)22-12-7-4-8-13-22)24(30)25(31)28-15-9-14-27(16-17-28)18-21-10-5-3-6-11-21/h3-8,10-13H,9,14-18H2,1-2H3