3-[[1-(2-hydroxyethyl)-5-[(triphenylmethyl)amino]pyrazol-4-yl]-methanoyl-amino]propylcarbamic acid

Systemtic Name: 3-[[1-(2-hydroxyethyl)-5-[(triphenylmethyl)amino]pyrazol-4-yl]-methanoyl-amino]propylcarbamic acid Openeye Name: 3-[formyl-[1-(2-hydroxyethyl)-5-(tritylamino)pyrazol-4-yl]amino]propylcarbamic acid CAS Name: 3-[formyl-[1-(2-hydroxyethyl)-5-[(triphenylmethyl)amino]-4-pyrazolyl]amino]propylcarbamic acid IUPAC Name: 3-[formyl-[1-(2-hydroxyethyl)-5-(tritylamino)pyrazol-4-yl]amino]propylcarbamic acid Traditional Name: 3-[formyl-[1-(2-hydroxyethyl)-5-(tritylamino)pyrazol-4-yl]amino]propylcarbamic acid Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C(C=NN4CCO)N(CCCNC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C(C=NN4CCO)N(CCCNC(=O)O)C=O

InChI

InChI=1S/C29H31N5O4/c35-20-19-34-27(26(21-31-34)33(22-36)18-10-17-30-28(37)38)32-29(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,21-22,30,32,35H,10,17-20H2,(H,37,38)