N-[3-(benzimidazol-1-yl)propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N5O2/c1-24-20(27)15-8-3-2-7-14(15)18(23-24)19(26)21-11-6-12-25-13-22-16-9-4-5-10-17(16)25/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,26)