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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1CCN(CC1)C2=NC=NC3=C2N=C4N3CCCCC4

Isomeric SMILES

CCCN(CCC)C(=O)C1CCN(CC1)C2=NC=NC3=C2N=C4N3CCCCC4

InChI

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