4-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyl hydrogen carbonate

Systemtic Name: 4-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyl hydrogen carbonate Openeye Name: 4-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyl hydrogen carbonate CAS Name: carbonic acid 4-[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]butyl ester IUPAC Name: 4-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyl hydrogen carbonate Traditional Name: carbonic acid 4-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCCCOC(=O)O)C)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1CCCCOC(=O)O)C)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-16-14-18(15-17(2)20(16)10-6-7-13-28-22(26)27)23-21-11-12-25(24-21)19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3,(H,23,24)(H,26,27)