4-[(4-azanylcinnolin-7-yl)methyl]-N-(4-chlorophenyl)-2-methyl-3-oxidanylidene-piperazine-1-carboxamide

Systemtic Name: 4-[(4-azanylcinnolin-7-yl)methyl]-N-(4-chlorophenyl)-2-methyl-3-oxidanylidene-piperazine-1-carboxamide Openeye Name: 4-[(4-aminocinnolin-7-yl)methyl]-N-(4-chlorophenyl)-2-methyl-3-oxo-piperazine-1-carboxamide CAS Name: 4-[(4-amino-7-cinnolinyl)methyl]-N-(4-chlorophenyl)-2-methyl-3-oxo-1-piperazinecarboxamide IUPAC Name: 4-[(4-aminocinnolin-7-yl)methyl]-N-(4-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide Traditional Name: 4-[(4-aminocinnolin-7-yl)methyl]-N-(4-chlorophenyl)-3-keto-2-methyl-piperazine-1-carboxamide Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)NC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)C(=CN=N4)N

Isomeric SMILES

CC1C(=O)N(CCN1C(=O)NC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)C(=CN=N4)N

InChI

InChI=1S/C21H21ClN6O2/c1-13-20(29)27(12-14-2-7-17-18(23)11-24-26-19(17)10-14)8-9-28(13)21(30)25-16-5-3-15(22)4-6-16/h2-7,10-11,13H,8-9,12H2,1H3,(H2,23,26)(H,25,30)