3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(isopropylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]phthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(isopropylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-12(2)24-18(27)11-23-20(28)19-14-6-4-5-7-15(14)21(29)26(25-19)13-8-9-17(30-3)16(22)10-13/h4-10,12H,11H2,1-3H3,(H,23,28)(H,24,27)