[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C23H31N3O4/c1-3-4-15-26-22(28)19-14-10-9-13-18(19)20(25-26)23(29)30-16(2)21(27)24-17-11-7-5-6-8-12-17/h9-10,13-14,16-17H,3-8,11-12,15H2,1-2H3,(H,24,27)/t16-/m1/s1