methyl 4-[[1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethylamino]methyl]benzoate Openeye Name: methyl 4-[[1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethylamino]methyl]benzoate CAS Name: 4-[[1-[5-methyl-1-(1-naphthalenyl)-4-pyrazolyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]benzoate Traditional Name: 4-[[1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H25N3O2/c1-17(26-15-19-11-13-21(14-12-19)25(29)30-3)23-16-27-28(18(23)2)24-10-6-8-20-7-4-5-9-22(20)24/h4-14,16-17,26H,15H2,1-3H3