[4-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]amino]-3-oxidanyl-4-oxidanylidene-butyl]carbamic acid

Systemtic Name: [4-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]amino]-3-oxidanyl-4-oxidanylidene-butyl]carbamic acid Openeye Name: [3-hydroxy-4-[[1-methyl-5-(tritylamino)pyrazol-4-yl]amino]-4-oxo-butyl]carbamic acid CAS Name: [3-hydroxy-4-[[1-methyl-5-[(triphenylmethyl)amino]-4-pyrazolyl]amino]-4-oxobutyl]carbamic acid IUPAC Name: [3-hydroxy-4-[[1-methyl-5-(tritylamino)pyrazol-4-yl]amino]-4-oxobutyl]carbamic acid Traditional Name: [3-hydroxy-4-keto-4-[[1-methyl-5-(tritylamino)pyrazol-4-yl]amino]butyl]carbamic acid Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O4/c1-33-25(23(19-30-33)31-26(35)24(34)17-18-29-27(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/h2-16,19,24,29,32,34H,17-18H2,1H3,(H,31,35)(H,36,37)