(E)-3-[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]-4-phenylazanyl-but-3-enenitrile

Systemtic Name: (E)-3-[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]-4-phenylazanyl-but-3-enenitrile Openeye Name: (E)-4-anilino-3-[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]but-3-enenitrile CAS Name: (E)-4-anilino-3-[4-methoxy-3,5-bis(1-pyrrolyl)phenyl]-3-butenenitrile IUPAC Name: (E)-4-anilino-3-[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]but-3-enenitrile Traditional Name: (E)-4-anilino-3-[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]but-3-enenitrile Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1N2C=CC=C2)C(=CNC3=CC=CC=C3)CC#N)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1N2C=CC=C2)/C(=C/NC3=CC=CC=C3)/CC#N)N4C=CC=C4

InChI

InChI=1S/C25H22N4O/c1-30-25-23(28-13-5-6-14-28)17-21(18-24(25)29-15-7-8-16-29)20(11-12-26)19-27-22-9-3-2-4-10-22/h2-10,13-19,27H,11H2,1H3/b20-19+