[3-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoyl]azetidin-3-yl]carbamic acid

Systemtic Name: [3-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoyl]azetidin-3-yl]carbamic acid Openeye Name: [3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]azetidin-3-yl]carbamic acid CAS Name: [3-[[[1-methyl-5-[(triphenylmethyl)amino]-4-pyrazolyl]amino]-oxomethyl]-3-azetidinyl]carbamic acid IUPAC Name: [3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]azetidin-3-yl]carbamic acid Traditional Name: [3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]azetidin-3-yl]carbamic acid Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=O)C2(CNC2)NC(=O)O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=C(C=N1)NC(=O)C2(CNC2)NC(=O)O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O3/c1-34-24(23(17-30-34)31-25(35)27(18-29-19-27)33-26(36)37)32-28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,29,32-33H,18-19H2,1H3,(H,31,35)(H,36,37)