ethyl 1-[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=CC=CC=C5C4=N3)C6CC6

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=CC=CC=C5C4=N3)C6CC6

InChI

InChI=1S/C27H29N5O3/c1-2-35-26(34)19-11-13-31(14-12-19)25(33)22-16-29-32(24(22)18-8-9-18)27-28-15-20-10-7-17-5-3-4-6-21(17)23(20)30-27/h3-6,15-16,18-19H,2,7-14H2,1H3