N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H19N5O2/c1-14(15-7-9-16(10-8-15)26-12-11-22-13-26)23-20(27)19-17-5-3-4-6-18(17)21(28)25(2)24-19/h3-14H,1-2H3,(H,23,27)/t14-/m1/s1