ethyl 1-[1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)isonipecotoyl]nipecotic acid ethyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C

InChI

InChI=1S/C27H34N6O3/c1-4-36-27(35)21-9-8-14-32(17-21)26(34)20-12-15-31(16-13-20)25-24-23(18(2)28-29-25)19(3)33(30-24)22-10-6-5-7-11-22/h5-7,10-11,20-21H,4,8-9,12-17H2,1-3H3