2-azanyl-1-(2,2-dimethylpropyl)-4-(4-phenoxyphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-1-(2,2-dimethylpropyl)-4-(4-phenoxyphenyl)pyrrole-3-carbonitrile Openeye Name: 2-amino-1-(2,2-dimethylpropyl)-4-(4-phenoxyphenyl)pyrrole-3-carbonitrile CAS Name: 2-amino-1-(2,2-dimethylpropyl)-4-(4-phenoxyphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-amino-1-(2,2-dimethylpropyl)-4-(4-phenoxyphenyl)pyrrole-3-carbonitrile Traditional Name: 2-amino-1-neopentyl-4-(4-phenoxyphenyl)pyrrole-3-carbonitrile Formula: C22H23N3O MolecularWeight: 345.43752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=C(C(=C1N)C#N)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CN1C=C(C(=C1N)C#N)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O/c1-22(2,3)15-25-14-20(19(13-23)21(25)24)16-9-11-18(12-10-16)26-17-7-5-4-6-8-17/h4-12,14H,15,24H2,1-3H3