6-chloranyl-2-[(E)-heptadec-8-enyl]-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile

Systemtic Name: 6-chloranyl-2-[(E)-heptadec-8-enyl]-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Openeye Name: 6-chloro-2-[(E)-heptadec-8-enyl]-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile CAS Name: 6-chloro-2-[(E)-heptadec-8-enyl]-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile IUPAC Name: 6-chloro-2-[(E)-heptadec-8-enyl]-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Traditional Name: 6-chloro-2-[(E)-heptadec-8-enyl]-4-keto-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Formula: C31H40ClN3O MolecularWeight: 506.1218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=CC(=O)N2C(=C(C(=C2Cl)C3=CC=CC=C3)C#N)N1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=CC(=O)N2C(=C(C(=C2Cl)C3=CC=CC=C3)C#N)N1

InChI

InChI=1S/C31H40ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-23-28(36)35-30(32)29(25-20-17-16-18-21-25)27(24-33)31(35)34-26/h9-10,16-18,20-21,23,34H,2-8,11-15,19,22H2,1H3/b10-9+