N-[2-(2-methylpropanoylamino)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(2-methylpropanoylamino)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(2-methylpropanoylamino)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-(isobutyrylamino)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-15(2)20(27)23-12-13-24-21(28)19-17-10-6-7-11-18(17)22(29)26(25-19)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,28)