ethyl 5-(4-imidazol-1-ylphenyl)carbonyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(4-imidazol-1-ylphenyl)carbonyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 5-(4-imidazol-1-ylbenzoyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-[[4-(1-imidazolyl)phenyl]-oxomethyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-imidazol-1-ylbenzoyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(4-imidazol-1-ylbenzoyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=CC=C(C=C3)N4C=CN=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=CC=C(C=C3)N4C=CN=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-2-36-28(35)26-24-19-31(27(34)22-10-12-23(13-11-22)32-18-15-29-20-32)17-14-25(24)33(30-26)16-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13,15,18,20H,2,6,9,14,16-17,19H2,1H3