4-[4-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-yl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[2,2,4,6,7-pentamethyl-3-(p-tolyl)-3H-benzofuran-5-yl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-benzofuran-5-yl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-yl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[2,2,4,6,7-pentamethyl-3-(p-tolyl)coumaran-5-yl]piperazino]benzonitrile Formula: C31H35N3O MolecularWeight: 465.6291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C(=C(C(=C3OC2(C)C)C)C)N4CCN(CC4)C5=CC=C(C=C5)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(C(=C(C(=C3OC2(C)C)C)C)N4CCN(CC4)C5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C31H35N3O/c1-20-7-11-25(12-8-20)28-27-23(4)29(21(2)22(3)30(27)35-31(28,5)6)34-17-15-33(16-18-34)26-13-9-24(19-32)10-14-26/h7-14,28H,15-18H2,1-6H3