N-(3-ethylpent-1-yn-3-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(1,1-diethylprop-2-ynyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-ethylpent-1-yn-3-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(1,1-diethylprop-2-ynyl)-4-keto-phthalazine-1-carboxamide Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O2/c1-4-23(5-2,6-3)24-21(27)20-18-14-10-11-15-19(18)22(28)26(25-20)16-17-12-8-7-9-13-17/h1,7-15H,5-6,16H2,2-3H3,(H,24,27)