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

Systemtic Name: ethyl 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylate CAS Name: 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)isonipecotic acid ethyl ester Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2N=C4N3CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2N=C4N3CCCCC4

InChI

InChI=1S/C18H25N5O2/c1-2-25-18(24)13-7-10-22(11-8-13)16-15-17(20-12-19-16)23-9-5-3-4-6-14(23)21-15/h12-13H,2-11H2,1H3