[3-(4-fluorophenyl)-3-[2-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-(4-fluorophenyl)-3-[2-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-(1-allylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-(4-fluorophenyl)-3-[2-[4-(1-prop-2-enyl-2-benzimidazolyl)-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-(4-fluorophenyl)-3-[2-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-(1-allylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-(4-fluorophenyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C37H44FN5O4 MolecularWeight: 641.774763

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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=C5N4CC=C)C6=CC=C(C=C6)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC=C)C6=CC=C(C=C6)F

InChI

InChI=1S/C37H44FN5O4/c1-5-17-43-31-10-7-6-9-30(31)39-36(43)41-19-8-18-40(22-23-41)20-15-37(28-11-13-29(38)14-12-28)16-21-42(26-37)35(44)27-24-32(45-2)34(47-4)33(25-27)46-3/h5-7,9-14,24-25H,1,8,15-23,26H2,2-4H3