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

Systemtic Name: ethyl 1-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-3-33-24(32)18-10-12-29(13-11-18)23(31)21-15-27-30(16(21)2)25-26-14-19-9-8-17-6-4-5-7-20(17)22(19)28-25/h4-7,14-15,18H,3,8-13H2,1-2H3