N-[(Z)-1-(4-chlorophenyl)propylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-chlorophenyl)propylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-chlorophenyl)propylideneamino]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-chlorophenyl)propylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(4-chlorophenyl)propylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-chlorophenyl)propylideneamino]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C(C)C)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-4-18(14-9-11-15(22)12-10-14)23-24-20(27)19-16-7-5-6-8-17(16)21(28)26(25-19)13(2)3/h5-13H,4H2,1-3H3,(H,24,27)/b23-18-