N-[3-[(2-azanyl-3H-benzimidazol-5-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-(diethylamino)benzamide

Systemtic Name: N-[3-[(2-azanyl-3H-benzimidazol-5-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-(diethylamino)benzamide Openeye Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-(diethylamino)benzamide CAS Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-(diethylamino)benzamide IUPAC Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-(diethylamino)benzamide Traditional Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-(diethylamino)benzamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)N=C(N4)N)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)N=C(N4)N)O

InChI

InChI=1S/C27H30N6O3/c1-3-33(4-2)20-13-10-18(11-14-20)25(35)32-23(17-8-6-5-7-9-17)24(34)26(36)29-19-12-15-21-22(16-19)31-27(28)30-21/h5-16,23-24,34H,3-4H2,1-2H3,(H,29,36)(H,32,35)(H3,28,30,31)