N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[3-(4-methoxyphenyl)-1-methyl-propylidene]amino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-[3-(4-methoxyphenyl)-1-methyl-propylidene]amino]-3-methyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)CCC3=CC=C(C=C3)OC

Isomeric SMILES

C/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)/CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3/c1-14(8-9-15-10-12-16(28-3)13-11-15)22-23-20(26)19-17-6-4-5-7-18(17)21(27)25(2)24-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,26)/b22-14-