2-azanyl-5-[bis(azanyl)methylideneamino]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]pentanamide Openeye Name: 2-amino-N-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-5-guanidino-pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]pentanamide Traditional Name: 2-amino-N-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-5-guanidino-valeramide Formula: C20H23FN8O MolecularWeight: 410.448023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN2)NC(=O)C(CCCN=C(N)N)N)C3=CC=NC=C3)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN2)NC(=O)C(CCCN=C(N)N)N)C3=CC=NC=C3)F

InChI

InChI=1S/C20H23FN8O/c21-14-5-3-13(4-6-14)17-16(12-7-10-25-11-8-12)18(29-28-17)27-19(30)15(22)2-1-9-26-20(23)24/h3-8,10-11,15H,1-2,9,22H2,(H4,23,24,26)(H2,27,28,29,30)