2-(2-aminophenyl)-8-azanyl-4-isocyanato-1-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]octane-1,3-dione

Systemtic Name: 2-(2-aminophenyl)-8-azanyl-4-isocyanato-1-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]octane-1,3-dione Openeye Name: 8-amino-2-(2-aminophenyl)-4-isocyanato-1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]octane-1,3-dione CAS Name: 8-amino-2-(2-aminophenyl)-4-isocyanato-1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]octane-1,3-dione IUPAC Name: 8-amino-2-(2-aminophenyl)-4-isocyanato-1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]octane-1,3-dione Traditional Name: 8-amino-2-(2-aminophenyl)-4-isocyanato-1-[4-(5-keto-3-methyl-2-pyrazolin-1-yl)phenyl]octane-1,3-dione Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)C(C3=CC=CC=C3N)C(=O)C(CCCCN)N=C=O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)C(C3=CC=CC=C3N)C(=O)C(CCCCN)N=C=O

InChI

InChI=1S/C25H27N5O4/c1-16-14-22(32)30(29-16)18-11-9-17(10-12-18)24(33)23(19-6-2-3-7-20(19)27)25(34)21(28-15-31)8-4-5-13-26/h2-3,6-7,9-12,21,23H,4-5,8,13-14,26-27H2,1H3