(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-methylbenzofuran-2-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N3O2/c1-16-18-8-2-3-9-19(18)26-20(16)21(25)24-12-6-11-23(13-14-24)15-17-7-4-5-10-22-17/h2-5,7-10H,6,11-15H2,1H3