2-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoylamino]ethylcarbamic acid

Systemtic Name: 2-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoylamino]ethylcarbamic acid Openeye Name: 2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethylcarbamic acid CAS Name: 2-[[[[1-methyl-5-[(triphenylmethyl)amino]-4-pyrazolyl]amino]-oxomethyl]amino]ethylcarbamic acid IUPAC Name: 2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethylcarbamic acid Traditional Name: 2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethylcarbamic acid Formula: C27H28N6O3 MolecularWeight: 484.54962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O3/c1-33-24(23(19-30-33)31-25(34)28-17-18-29-26(35)36)32-27(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,29,32H,17-18H2,1H3,(H,35,36)(H2,28,31,34)