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

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-methyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-methyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[imino(1-pyrrolidinyl)methyl]phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-methyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-5-methyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide Formula: C23H23N7O2 MolecularWeight: 429.47442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N3CCCC3)C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N3CCCC3)C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C23H23N7O2/c1-14-12-19(30(27-14)17-8-9-20-18(13-17)21(24)28-32-20)23(31)26-16-6-4-15(5-7-16)22(25)29-10-2-3-11-29/h4-9,12-13,25H,2-3,10-11H2,1H3,(H2,24,28)(H,26,31)