[3-phenyl-3-[2-[4-[1-(thiophen-3-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-3-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-(3-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-(3-thiophenylmethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-phenyl-3-[2-[4-[1-(thiophen-3-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-(3-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=CSC=C6)C7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CSC=C6)C7=CC=CC=C7

InChI

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