1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-1H-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-1H-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-1H-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-1H-quinazolin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-1H-quinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-chloro-4-(piperonylamino)-1H-quinazolin-2-yl]isonipecotic acid Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(C3=CC=CC=C3N2)(NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(C3=CC=CC=C3N2)(NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C22H23ClN4O4/c23-22(24-12-14-5-6-18-19(11-14)31-13-30-18)16-3-1-2-4-17(16)25-21(26-22)27-9-7-15(8-10-27)20(28)29/h1-6,11,15,24H,7-10,12-13H2,(H,25,26)(H,28,29)