methyl 3-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[1-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-2-phenylethyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)C(=O)OC)C

InChI

InChI=1S/C29H36N4O3/c1-21-26(20-32(3)30-21)19-31(2)27(17-22-9-6-5-7-10-22)23-13-15-33(16-14-23)28(34)24-11-8-12-25(18-24)29(35)36-4/h5-12,18,20,23,27H,13-17,19H2,1-4H3