(E)-3-[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]-4-phenylazanyl-but-3-enenitrile

Systemtic Name: (E)-3-[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]-4-phenylazanyl-but-3-enenitrile Openeye Name: (E)-4-anilino-3-[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]but-3-enenitrile CAS Name: (E)-4-anilino-3-[3,5-bis(2,5-dimethyl-1-pyrrolyl)-4-methylphenyl]-3-butenenitrile IUPAC Name: (E)-4-anilino-3-[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]but-3-enenitrile Traditional Name: (E)-4-anilino-3-[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]but-3-enenitrile Formula: C29H30N4 MolecularWeight: 434.5753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=C2C)N3C(=CC=C3C)C)C(=CNC4=CC=CC=C4)CC#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=C2C)N3C(=CC=C3C)C)/C(=C/NC4=CC=CC=C4)/CC#N)C

InChI

InChI=1S/C29H30N4/c1-20-11-12-21(2)32(20)28-17-26(18-29(24(28)5)33-22(3)13-14-23(33)4)25(15-16-30)19-31-27-9-7-6-8-10-27/h6-14,17-19,31H,15H2,1-5H3/b25-19+