2-[3-(2-carbamimidoyl-4-propan-2-yl-phenyl)-1,2-oxazol-5-yl]-5-propan-2-yl-benzenecarboximidamide dihydrochloride

Systemtic Name: 2-[3-(2-carbamimidoyl-4-propan-2-yl-phenyl)-1,2-oxazol-5-yl]-5-propan-2-yl-benzenecarboximidamide dihydrochloride Openeye Name: 2-[3-(2-carbamimidoyl-4-isopropyl-phenyl)isoxazol-5-yl]-5-isopropyl-benzamidine dihydrochloride CAS Name: 2-[3-(2-carbamimidoyl-4-propan-2-ylphenyl)-5-isoxazolyl]-5-propan-2-ylbenzenecarboximidamide dihydrochloride IUPAC Name: 2-[3-(2-carbamimidoyl-4-propan-2-ylphenyl)-1,2-oxazol-5-yl]-5-propan-2-ylbenzenecarboximidamide dihydrochloride Traditional Name: 2-[3-(2-amidino-4-isopropyl-phenyl)isoxazol-5-yl]-5-isopropyl-benzamidine dihydrochloride Formula: C23H29Cl2N5O MolecularWeight: 462.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C2=CC(=NO2)C3=C(C=C(C=C3)C(C)C)C(=N)N)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C2=CC(=NO2)C3=C(C=C(C=C3)C(C)C)C(=N)N)C(=N)N.Cl.Cl

InChI

InChI=1S/C23H27N5O.2ClH/c1-12(2)14-5-7-16(18(9-14)22(24)25)20-11-21(29-28-20)17-8-6-15(13(3)4)10-19(17)23(26)27;;/h5-13H,1-4H3,(H3,24,25)(H3,26,27);2*1H