N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(S)-(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-phthalazine-1-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)OC)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H21N5O3/c1-26-13-12-23-20(26)18(14-8-10-15(30-3)11-9-14)24-21(28)19-16-6-4-5-7-17(16)22(29)27(2)25-19/h4-13,18H,1-3H3,(H,24,28)/t18-/m0/s1