2-(3-azanyl-1,2-benzoxazol-5-yl)-N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[dimethylamino(imino)methyl]phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-N-[4-(N,N-dimethylamidino)phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N(C)C)C3=CC4=C(C=C3)ON=C4N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N(C)C)C3=CC4=C(C=C3)ON=C4N

InChI

InChI=1S/C21H21N7O2/c1-12-10-17(21(29)24-14-6-4-13(5-7-14)20(23)27(2)3)28(25-12)15-8-9-18-16(11-15)19(22)26-30-18/h4-11,23H,1-3H3,(H2,22,26)(H,24,29)