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

Systemtic Name: N-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H21N3O2S/c1-3-15-10-12-16(13-11-15)20(19-9-6-14-29-19)24-22(27)21-17-7-4-5-8-18(17)23(28)26(2)25-21/h4-14,20H,3H2,1-2H3,(H,24,27)/t20-/m1/s1