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

Systemtic Name: N-(3-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide Openeye Name: N-(3-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide CAS Name: N-(3-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-3-piperidinecarboxamide IUPAC Name: N-(3-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide Traditional Name: N-(3-chlorophenyl)-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)nipecotamide Formula: C22H25ClN6O MolecularWeight: 424.9265

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCCC(C4)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCCC(C4)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H25ClN6O/c23-16-7-4-8-17(12-16)26-22(30)15-6-5-10-28(13-15)20-19-21(25-14-24-20)29-11-3-1-2-9-18(29)27-19/h4,7-8,12,14-15H,1-3,5-6,9-11,13H2,(H,26,30)