N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H23N5O2/c1-4-13-26-21(28)18-8-6-5-7-17(18)19(24-26)20(27)23-22-14-15-9-11-16(12-10-15)25(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)/b22-14+