2-[2,4-bis(4-methylphenyl)-3-morpholin-4-yl-pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2,4-bis(4-methylphenyl)-3-morpholin-4-yl-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[3-morpholino-2,4-bis(p-tolyl)pyrrol-1-yl]benzonitrile CAS Name: 2-[2,4-bis(4-methylphenyl)-3-(4-morpholinyl)-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2,4-bis(4-methylphenyl)-3-morpholin-4-ylpyrrol-1-yl]benzonitrile Traditional Name: 2-[3-morpholino-2,4-bis(p-tolyl)pyrrol-1-yl]benzonitrile Formula: C29H27N3O MolecularWeight: 433.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN(C(=C2N3CCOCC3)C4=CC=C(C=C4)C)C5=CC=CC=C5C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN(C(=C2N3CCOCC3)C4=CC=C(C=C4)C)C5=CC=CC=C5C#N

InChI

InChI=1S/C29H27N3O/c1-21-7-11-23(12-8-21)26-20-32(27-6-4-3-5-25(27)19-30)28(24-13-9-22(2)10-14-24)29(26)31-15-17-33-18-16-31/h3-14,20H,15-18H2,1-2H3