4-(dimethylamino)-2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate

Systemtic Name: 4-(dimethylamino)-2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate Openeye Name: 4-(dimethylamino)-2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate CAS Name: 4-(dimethylamino)-2-[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]butanoate IUPAC Name: 4-(dimethylamino)-2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate Traditional Name: 4-(dimethylamino)-2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyrate Formula: C23H27N4O2- MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(CCN(C)C)C(=O)[O-])C)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1C(CCN(C)C)C(=O)[O-])C)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-16-14-18(15-17(2)22(16)20(23(28)29)10-12-26(3)4)24-21-11-13-27(25-21)19-8-6-5-7-9-19/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,24,25)(H,28,29)/p-1