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

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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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)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C22H23ClN4O2/c1-26-22(29)17-9-5-4-8-16(17)20(25-26)21(28)24-18-14-15(23)10-11-19(18)27-12-6-2-3-7-13-27/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,24,28)