N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H25N5O2/c1-2-16-32-27(34)20-13-7-6-12-19(20)24(31-32)26(33)30-23(17-18-10-4-3-5-11-18)25-28-21-14-8-9-15-22(21)29-25/h3-15,23H,2,16-17H2,1H3,(H,28,29)(H,30,33)/t23-/m0/s1