[3-[2-[4-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-3-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-[2-[4-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-3-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-[1-(2-furylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[2-[4-[1-(2-furanylmethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridinyl)-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[2-[4-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-3-ylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-[1-(2-furfuryl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C38H44N6O5 MolecularWeight: 664.79316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=CO6)C7=CN=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=CO6)C7=CN=CC=C7

InChI

InChI=1S/C38H44N6O5/c1-46-33-23-28(24-34(47-2)35(33)48-3)36(45)43-19-14-38(27-43,29-9-6-15-39-25-29)13-18-41-16-8-17-42(21-20-41)37-40-31-11-4-5-12-32(31)44(37)26-30-10-7-22-49-30/h4-7,9-12,15,22-25H,8,13-14,16-21,26-27H2,1-3H3