methyl 4-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H26N4O3/c1-4-24-14-18(15(2)21-24)13-22-9-11-23(12-10-22)19(25)16-5-7-17(8-6-16)20(26)27-3/h5-8,14H,4,9-13H2,1-3H3