[3-[2-[4-[1-(3-methylbut-2-enyl)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-(3-methylbut-2-enyl)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-(3-methylbut-2-enyl)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-(3-methylbut-2-enyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridinyl)-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[2-[4-[1-(3-methylbut-2-enyl)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-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C38H48N6O4 MolecularWeight: 652.82552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CN=CC=C6)C

Isomeric SMILES

CC(=CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CN=CC=C6)C

InChI

InChI=1S/C38H48N6O4/c1-28(2)13-19-44-32-12-7-6-11-31(32)40-37(44)42-18-9-17-41(22-23-42)20-14-38(30-10-8-16-39-26-30)15-21-43(27-38)36(45)29-24-33(46-3)35(48-5)34(25-29)47-4/h6-8,10-13,16,24-26H,9,14-15,17-23,27H2,1-5H3