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

Systemtic Name: 3-ethanoyl-2-[(2-hexadecoxyphenoxy)methylamino]-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Openeye Name: 3-acetyl-2-[(2-hexadecoxyphenoxy)methylamino]-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile CAS Name: 3-acetyl-2-[(2-hexadecoxyphenoxy)methylamino]-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile IUPAC Name: 3-acetyl-2-[(2-hexadecoxyphenoxy)methylamino]-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Traditional Name: 3-acetyl-2-[(2-cetyloxyphenoxy)methylamino]-4-keto-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Formula: C39H50N4O4 MolecularWeight: 638.8387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OCNC2=C(C(=O)N3C=C(C(=C3N2)C#N)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OCNC2=C(C(=O)N3C=C(C(=C3N2)C#N)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C39H50N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-26-46-34-24-19-20-25-35(34)47-29-41-37-36(30(2)44)39(45)43-28-33(31-22-17-16-18-23-31)32(27-40)38(43)42-37/h16-20,22-25,28,41-42H,3-15,21,26,29H2,1-2H3