N-[(E)-(1-butyl-2-oxidanylidene-indol-3-ylidene)amino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(1-butyl-2-oxidanylidene-indol-3-ylidene)amino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(1-butyl-2-oxo-indolin-3-ylidene)amino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(1-butyl-2-oxo-3-indolylidene)amino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(1-butyl-2-oxoindol-3-ylidene)amino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(1-butyl-2-keto-indolin-3-ylidene)amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C1=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2/C(=N\NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)/C1=O

InChI

InChI=1S/C22H21N5O3/c1-3-4-13-27-17-12-8-7-11-16(17)19(22(27)30)23-24-20(28)18-14-9-5-6-10-15(14)21(29)26(2)25-18/h5-12H,3-4,13H2,1-2H3,(H,24,28)/b23-19+