ethyl 4-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-3-34-26(33)30-16-14-29(15-17-30)24(32)20-28(2)18-22-19-31(23-12-8-5-9-13-23)27-25(22)21-10-6-4-7-11-21/h4-13,19H,3,14-18,20H2,1-2H3