tert-butyl 3-azanyl-5-[(3-methoxyphenyl)methylcarbamoylamino]indazole-1-carboxylate

Systemtic Name: tert-butyl 3-azanyl-5-[(3-methoxyphenyl)methylcarbamoylamino]indazole-1-carboxylate Openeye Name: tert-butyl 3-amino-5-[(3-methoxyphenyl)methylcarbamoylamino]indazole-1-carboxylate CAS Name: 3-amino-5-[[[(3-methoxyphenyl)methylamino]-oxomethyl]amino]-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-5-[(3-methoxyphenyl)methylcarbamoylamino]indazole-1-carboxylate Traditional Name: 3-amino-5-(m-anisylcarbamoylamino)indazole-1-carboxylic acid tert-butyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC(=O)NCC3=CC(=CC=C3)OC)C(=N1)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC(=O)NCC3=CC(=CC=C3)OC)C(=N1)N

InChI

InChI=1S/C21H25N5O4/c1-21(2,3)30-20(28)26-17-9-8-14(11-16(17)18(22)25-26)24-19(27)23-12-13-6-5-7-15(10-13)29-4/h5-11H,12H2,1-4H3,(H2,22,25)(H2,23,24,27)