3-ethanoyl-7-(2-methylphenyl)-2-[(2-octadecoxyphenoxy)methylamino]-4-oxidanylidene-6H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile

Systemtic Name: 3-ethanoyl-7-(2-methylphenyl)-2-[(2-octadecoxyphenoxy)methylamino]-4-oxidanylidene-6H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Openeye Name: 3-acetyl-2-[(2-octadecoxyphenoxy)methylamino]-7-(o-tolyl)-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile CAS Name: 3-acetyl-7-(2-methylphenyl)-2-[(2-octadecoxyphenoxy)methylamino]-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile IUPAC Name: 3-acetyl-7-(2-methylphenyl)-2-[(2-octadecoxyphenoxy)methylamino]-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Traditional Name: 3-acetyl-4-keto-7-(o-tolyl)-2-[(2-stearyloxyphenoxy)methylamino]-6H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Formula: C42H56N4O4 MolecularWeight: 680.91844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1OCNC2=C(C(=O)N3CC(=C(C3=N2)C#N)C4=CC=CC=C4C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1OCNC2=C(C(=O)N3CC(=C(C3=N2)C#N)C4=CC=CC=C4C)C(=O)C

InChI

InChI=1S/C42H56N4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-49-37-26-21-22-27-38(37)50-31-44-40-39(33(3)47)42(48)46-30-36(35(29-43)41(46)45-40)34-25-20-19-24-32(34)2/h19-22,24-27,44H,4-18,23,28,30-31H2,1-3H3