3-azanyl-3-(4-tert-butylphenyl)-2-propyl-isoindol-1-one

Systemtic Name: 3-azanyl-3-(4-tert-butylphenyl)-2-propyl-isoindol-1-one Openeye Name: 3-amino-3-(4-tert-butylphenyl)-2-propyl-isoindolin-1-one CAS Name: 3-amino-3-(4-tert-butylphenyl)-2-propyl-1-isoindolone IUPAC Name: 3-amino-3-(4-tert-butylphenyl)-2-propylisoindol-1-one Traditional Name: 3-amino-3-(4-tert-butylphenyl)-2-propyl-isoindolin-1-one Formula: C21H26N2O MolecularWeight: 322.44394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C21H26N2O/c1-5-14-23-19(24)17-8-6-7-9-18(17)21(23,22)16-12-10-15(11-13-16)20(2,3)4/h6-13H,5,14,22H2,1-4H3