N-(5-chloranyl-2-piperidin-1-yl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-piperidin-1-yl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-(1-piperidyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(1-piperidinyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-chloro-2-piperidin-1-ylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-chloro-2-piperidino-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4

InChI

InChI=1S/C21H21ClN4O2/c1-25-21(28)16-8-4-3-7-15(16)19(24-25)20(27)23-17-13-14(22)9-10-18(17)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,27)