1-[4-(3H-benzimidazol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(3H-benzimidazol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(3H-benzimidazol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(3H-benzimidazol-5-ylmethylamino)-6-cyano-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(3H-benzimidazol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(3H-benzimidazol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]isonipecotic acid Formula: C23H21N7O2 MolecularWeight: 427.45854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C23H21N7O2/c24-11-14-1-3-18-17(9-14)21(25-12-15-2-4-19-20(10-15)27-13-26-19)29-23(28-18)30-7-5-16(6-8-30)22(31)32/h1-4,9-10,13,16H,5-8,12H2,(H,26,27)(H,31,32)(H,25,28,29)