[3-[2-[4-[1-[(E)-pent-3-en-2-yl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-[2-[4-[1-[(E)-pent-3-en-2-yl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-[1-[(E)-1-methylbut-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[2-[4-[1-[(E)-pent-3-en-2-yl]-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[2-[4-[1-[(E)-pent-3-en-2-yl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-[1-[(E)-1-methylbut-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C39H49N5O4 MolecularWeight: 651.83746

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)N1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=CC=C6

Isomeric SMILES

C/C=C/C(C)N1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=CC=C6

InChI

InChI=1S/C39H49N5O4/c1-6-13-29(2)44-33-17-11-10-16-32(33)40-38(44)42-21-12-20-41(24-25-42)22-18-39(31-14-8-7-9-15-31)19-23-43(28-39)37(45)30-26-34(46-3)36(48-5)35(27-30)47-4/h6-11,13-17,26-27,29H,12,18-25,28H2,1-5H3/b13-6+