12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanenitrile

Systemtic Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanenitrile Openeye Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanenitrile CAS Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]-2-pyrrolyl]dodecanenitrile IUPAC Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanenitrile Traditional Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-2-pyrrolin-2-ylidene]pyrrol-2-yl]lauronitrile Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(N(C1=C2C=CC(=N2)CCCCCCCCCCCC#N)C)C3=CC=CN3

Isomeric SMILES

CCCOC\1C=C(N(/C1=C/2\C=CC(=N2)CCCCCCCCCCCC#N)C)C3=CC=CN3

InChI

InChI=1S/C28H40N4O/c1-3-21-33-27-22-26(24-16-14-20-30-24)32(2)28(27)25-18-17-23(31-25)15-12-10-8-6-4-5-7-9-11-13-19-29/h14,16-18,20,22,27,30H,3-13,15,21H2,1-2H3/b28-25+