N-(4-butylphenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-butylphenyl)-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-butylphenyl)-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-butylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-butylphenyl)-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

InChI=1S/C21H23N3O2/c1-3-5-8-15-11-13-16(14-12-15)22-20(25)19-17-9-6-7-10-18(17)21(26)24(4-2)23-19/h6-7,9-14H,3-5,8H2,1-2H3,(H,22,25)