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

Systemtic Name: [3-phenyl-3-[2-[4-[1-(thiophen-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-phenyl-3-[2-[4-[1-(2-thienylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-phenyl-3-[2-[4-[1-(thiophen-2-ylmethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-phenyl-3-[2-[4-[1-(thiophen-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-phenyl-3-[2-[4-[1-(2-thenyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C39H45N5O4S MolecularWeight: 679.8707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=CS6)C7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=CS6)C7=CC=CC=C7

InChI

InChI=1S/C39H45N5O4S/c1-46-34-25-29(26-35(47-2)36(34)48-3)37(45)43-21-17-39(28-43,30-11-5-4-6-12-30)16-20-41-18-10-19-42(23-22-41)38-40-32-14-7-8-15-33(32)44(38)27-31-13-9-24-49-31/h4-9,11-15,24-26H,10,16-23,27-28H2,1-3H3