methyl 3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C24H26N4O4/c1-3-12-28-23(30)18-9-5-4-8-17(18)21(26-28)22(29)25-19-15-16(24(31)32-2)10-11-20(19)27-13-6-7-14-27/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,25,29)