1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)isonipecotic acid Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)O

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)O

InChI

InChI=1S/C16H21N5O2/c22-16(23)11-5-8-20(9-6-11)14-13-15(18-10-17-14)21-7-3-1-2-4-12(21)19-13/h10-11H,1-9H2,(H,22,23)