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

Systemtic Name: 3-methyl-N-[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(R)-(4-isobutylphenyl)-(2-thienyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-4-oxophthalazine-1-carboxamide Traditional Name: N-[(R)-(4-isobutylphenyl)-(2-thienyl)methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H25N3O2S/c1-16(2)15-17-10-12-18(13-11-17)22(21-9-6-14-31-21)26-24(29)23-19-7-4-5-8-20(19)25(30)28(3)27-23/h4-14,16,22H,15H2,1-3H3,(H,26,29)/t22-/m1/s1