ethyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C3=C2CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C3=C2CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3/c1-2-29-22(28)25-15-13-24(14-16-25)21(27)20-18-11-7-4-8-12-19(18)26(23-20)17-9-5-3-6-10-17/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3