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

Systemtic Name: N-butyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide Openeye Name: N-butyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide CAS Name: N-butyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinecarboxamide IUPAC Name: N-butyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide Traditional Name: N-butyl-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)isonipecotamide Formula: C20H30N6O MolecularWeight: 370.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O/c1-2-3-10-21-20(27)15-8-12-25(13-9-15)18-17-19(23-14-22-18)26-11-6-4-5-7-16(26)24-17/h14-15H,2-13H2,1H3,(H,21,27)