N-butyl-N-ethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide

Systemtic Name: N-butyl-N-ethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide Openeye Name: N-butyl-N-ethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide CAS Name: N-butyl-N-ethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-3-piperidinecarboxamide IUPAC Name: N-butyl-N-ethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide Traditional Name: N-butyl-N-ethyl-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)nipecotamide Formula: C22H34N6O MolecularWeight: 398.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2N=C4N3CCCCC4

Isomeric SMILES

CCCCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2N=C4N3CCCCC4

InChI

InChI=1S/C22H34N6O/c1-3-5-12-26(4-2)22(29)17-10-9-13-27(15-17)20-19-21(24-16-23-20)28-14-8-6-7-11-18(28)25-19/h16-17H,3-15H2,1-2H3