N-[(E)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(2-chloro-7-methyl-3-quinolinyl)methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(E)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]-4-keto-phthalazine-1-carboxamide Formula: C27H20ClN5O2 MolecularWeight: 481.933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H20ClN5O2/c1-17-11-12-19-14-20(25(28)30-23(19)13-17)15-29-31-26(34)24-21-9-5-6-10-22(21)27(35)33(32-24)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,31,34)/b29-15+