methyl 3-(2-piperidin-1-yl-1,4,4a,8a-tetrahydroquinazolin-5-yl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(2-piperidin-1-yl-1,4,4a,8a-tetrahydroquinazolin-5-yl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-[2-(1-piperidyl)-1,4,4a,8a-tetrahydroquinazolin-5-yl]-1H-pyrazole-5-carboxylate CAS Name: 3-[2-(1-piperidinyl)-1,4,4a,8a-tetrahydroquinazolin-5-yl]-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-piperidin-1-yl-1,4,4a,8a-tetrahydroquinazolin-5-yl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(2-piperidino-1,4,4a,8a-tetrahydroquinazolin-5-yl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1)C2=CC=CC3C2CN=C(N3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=NN1)C2=CC=CC3C2CN=C(N3)N4CCCCC4

InChI

InChI=1S/C18H23N5O2/c1-25-17(24)16-10-15(21-22-16)12-6-5-7-14-13(12)11-19-18(20-14)23-8-3-2-4-9-23/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H,19,20)(H,21,22)