2-[5-(3-azanyl-5-oxidanyl-phenyl)-3-(propan-2-ylamino)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[5-(3-azanyl-5-oxidanyl-phenyl)-3-(propan-2-ylamino)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[5-(3-amino-5-hydroxy-phenyl)-3-(isopropylamino)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[5-(3-amino-5-hydroxyphenyl)-3-(propan-2-ylamino)-1-pyrazolyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[5-(3-amino-5-hydroxyphenyl)-3-(propan-2-ylamino)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-(3-amino-5-hydroxy-phenyl)-3-(isopropylamino)pyrazol-1-yl]acetamide Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN(C(=C1)C2=CC(=CC(=C2)O)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)NC1=NN(C(=C1)C2=CC(=CC(=C2)O)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N7O2/c1-13(2)27-20-10-19(16-7-17(23)9-18(30)8-16)29(28-20)12-21(31)26-11-14-3-5-15(6-4-14)22(24)25/h3-10,13,30H,11-12,23H2,1-2H3,(H3,24,25)(H,26,31)(H,27,28)