2-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H27N5O2/c1-29-17-8-6-16(7-9-17)10-13-26-11-3-12-27(15-14-26)22-24-19-5-2-4-18(21(23)28)20(19)25-22/h2,4-9H,3,10-15H2,1H3,(H2,23,28)(H,24,25)