N-pyridin-2-yl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-pyridin-2-yl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide Openeye Name: N-(2-pyridyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide CAS Name: N-(2-pyridinyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinecarboxamide IUPAC Name: N-pyridin-2-yl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide Traditional Name: N-(2-pyridyl)-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)isonipecotamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)NC5=CC=CC=N5

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C21H25N7O/c29-21(25-16-6-3-4-10-22-16)15-8-12-27(13-9-15)19-18-20(24-14-23-19)28-11-5-1-2-7-17(28)26-18/h3-4,6,10,14-15H,1-2,5,7-9,11-13H2,(H,22,25,29)