4-(5-ethanoyl-3,6-diphenyl-pyrrolo[1,2-c]pyrimidin-7-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(5-ethanoyl-3,6-diphenyl-pyrrolo[1,2-c]pyrimidin-7-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(5-acetyl-3,6-diphenyl-pyrrolo[1,2-c]pyrimidine-7-carbonyl)benzonitrile CAS Name: 4-[(5-acetyl-3,6-diphenyl-7-pyrrolo[1,2-c]pyrimidinyl)-oxomethyl]benzonitrile IUPAC Name: 4-(5-acetyl-3,6-diphenylpyrrolo[1,2-c]pyrimidine-7-carbonyl)benzonitrile Traditional Name: 4-(5-acetyl-3,6-diphenyl-pyrrolo[1,2-c]pyrimidine-7-carbonyl)benzonitrile Formula: C29H19N3O2 MolecularWeight: 441.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=C(N=CN2C(=C1C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=C2C=C(N=CN2C(=C1C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H19N3O2/c1-19(33)26-25-16-24(21-8-4-2-5-9-21)31-18-32(25)28(27(26)22-10-6-3-7-11-22)29(34)23-14-12-20(17-30)13-15-23/h2-16,18H,1H3