4-[5-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-1-benzofuran-3-yl]azepane

Systemtic Name: 4-[5-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-1-benzofuran-3-yl]azepane Openeye Name: 4-[5-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-benzofuran-3-yl]azepane CAS Name: 4-[5-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3-(1-piperazinyl)-3-benzofuranyl]azepane IUPAC Name: 4-[5-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-1-benzofuran-3-yl]azepane Traditional Name: 4-[5-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3-piperazino-coumaran-3-yl]azepane Formula: C30H43N3O2 MolecularWeight: 477.68132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1C3=CC=C(C=C3)OC)C)C(C(O2)(C)C)(C4CCCNCC4)N5CCNCC5)C

Isomeric SMILES

CC1=C(C2=C(C(=C1C3=CC=C(C=C3)OC)C)C(C(O2)(C)C)(C4CCCNCC4)N5CCNCC5)C

InChI

InChI=1S/C30H43N3O2/c1-20-21(2)28-27(22(3)26(20)23-9-11-25(34-6)12-10-23)30(29(4,5)35-28,33-18-16-32-17-19-33)24-8-7-14-31-15-13-24/h9-12,24,31-32H,7-8,13-19H2,1-6H3