N-[2-[(2-chlorophenyl)carbonylamino]ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2-chlorophenyl)carbonylamino]ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-chlorobenzoyl)amino]ethyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[[(2-chlorophenyl)-oxomethyl]amino]ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[2-[(2-chlorobenzoyl)amino]ethyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4O3/c1-13(2)26-21(29)15-8-4-3-7-14(15)18(25-26)20(28)24-12-11-23-19(27)16-9-5-6-10-17(16)22/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,28)