N-[(5-ethylthiophen-2-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(5-ethylthiophen-2-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(5-ethyl-2-thienyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(5-ethyl-2-thiophenyl)methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(5-ethylthiophen-2-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(5-ethyl-2-thienyl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-2-17-12-13-18(29-17)14-24-22(27)21-19-10-6-7-11-20(19)23(28)26(25-21)15-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,24,27)