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

Systemtic Name: N-phenethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide Openeye Name: N-phenethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide CAS Name: N-phenethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinecarboxamide IUPAC Name: N-phenethyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide Traditional Name: N-phenethyl-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)isonipecotamide Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C24H30N6O/c31-24(25-13-10-18-7-3-1-4-8-18)19-11-15-29(16-12-19)22-21-23(27-17-26-22)30-14-6-2-5-9-20(30)28-21/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,25,31)