N-[(3-bromophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[3-(2-methylphenoxy)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(3-bromobenzyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]nipecotamide Formula: C24H25BrN4O2 MolecularWeight: 481.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1OC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN4O2/c1-17-6-2-3-10-21(17)31-24-22(26-11-12-27-24)29-13-5-8-19(16-29)23(30)28-15-18-7-4-9-20(25)14-18/h2-4,6-7,9-12,14,19H,5,8,13,15-16H2,1H3,(H,28,30)