3-methyl-4-oxidanylidene-N-[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(R)-(4-propylphenyl)-(2-thienyl)methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(R)-(4-propylphenyl)-(2-thienyl)methyl]phthalazine-1-carboxamide Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C24H23N3O2S/c1-3-7-16-11-13-17(14-12-16)21(20-10-6-15-30-20)25-23(28)22-18-8-4-5-9-19(18)24(29)27(2)26-22/h4-6,8-15,21H,3,7H2,1-2H3,(H,25,28)/t21-/m1/s1