1-(2,2,4,6,7-pentamethyl-3-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)-4-phenyl-piperazine

Systemtic Name: 1-(2,2,4,6,7-pentamethyl-3-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)-4-phenyl-piperazine Openeye Name: 1-(2,2,4,6,7-pentamethyl-3-pyrrolidin-1-yl-3H-benzofuran-5-yl)-4-phenyl-piperazine CAS Name: 1-[2,2,4,6,7-pentamethyl-3-(1-pyrrolidinyl)-3H-benzofuran-5-yl]-4-phenylpiperazine IUPAC Name: 1-(2,2,4,6,7-pentamethyl-3-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)-4-phenylpiperazine Traditional Name: 1-(2,2,4,6,7-pentamethyl-3-pyrrolidino-coumaran-5-yl)-4-phenyl-piperazine Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(C(OC2=C1C)(C)C)N3CCCC3)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C2C(C(OC2=C1C)(C)C)N3CCCC3)C)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H37N3O/c1-19-20(2)25-23(26(27(4,5)31-25)30-13-9-10-14-30)21(3)24(19)29-17-15-28(16-18-29)22-11-7-6-8-12-22/h6-8,11-12,26H,9-10,13-18H2,1-5H3