N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-carbamoyl-2-pyrrolidino-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

InChI

InChI=1S/C21H21N5O3/c1-25-21(29)15-7-3-2-6-14(15)18(24-25)20(28)23-16-12-13(19(22)27)8-9-17(16)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,22,27)(H,23,28)