3-(2-methylpropyl)-4-oxidanylidene-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-(1-propyl-2-benzimidazolyl)-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C23H25N5O2/c1-4-13-27-19-12-8-7-11-18(19)24-23(27)25-21(29)20-16-9-5-6-10-17(16)22(30)28(26-20)14-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,24,25,29)