2-[[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3,5-dimethylpyrazol-1-yl)benzyl]-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C23H25N5O MolecularWeight: 387.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)N2C(=CC(=N2)C)C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN(CC1=CC=C(C=C1)N2C(=CC(=N2)C)C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H25N5O/c1-4-27(15-22-24-21-8-6-5-7-20(21)23(29)25-22)14-18-9-11-19(12-10-18)28-17(3)13-16(2)26-28/h5-13H,4,14-15H2,1-3H3,(H,24,25,29)