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

Systemtic Name: N-[(E)-(4-acetamidophenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-acetamidophenyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-acetamidophenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-acetamidophenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-(4-acetamidobenzylidene)amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-3-12-26-21(29)18-7-5-4-6-17(18)19(25-26)20(28)24-22-13-15-8-10-16(11-9-15)23-14(2)27/h4-11,13H,3,12H2,1-2H3,(H,23,27)(H,24,28)/b22-13+