[3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-4-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-4-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(4-pyridyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[2-[4-[1-[(E)-but-2-enyl]-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-4-yl-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-4-ylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(4-pyridyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C37H46N6O4 MolecularWeight: 638.79894

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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=CC=NC=C6

Isomeric SMILES

C/C=C/CN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=NC=C6

InChI

InChI=1S/C37H46N6O4/c1-5-6-20-43-31-11-8-7-10-30(31)39-36(43)41-19-9-18-40(23-24-41)21-14-37(29-12-16-38-17-13-29)15-22-42(27-37)35(44)28-25-32(45-2)34(47-4)33(26-28)46-3/h5-8,10-13,16-17,25-26H,9,14-15,18-24,27H2,1-4H3/b6-5+