2-[2-(3-aminophenyl)-4-oxidanylidene-5-(propan-2-ylamino)-1-propyl-pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-4-oxidanylidene-5-(propan-2-ylamino)-1-propyl-pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-5-(isopropylamino)-4-oxo-1-propyl-3-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-4-oxo-5-(propan-2-ylamino)-1-propyl-3-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-4-oxo-5-(propan-2-ylamino)-1-propylpyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-5-(isopropylamino)-4-keto-1-propyl-3-pyridyl]acetamide Formula: C27H34N6O2 MolecularWeight: 474.59786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C(=C1C2=CC(=CC=C2)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C)C

Isomeric SMILES

CCCN1C=C(C(=O)C(=C1C2=CC(=CC=C2)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C)C

InChI

InChI=1S/C27H34N6O2/c1-4-12-33-16-23(32-17(2)3)26(35)22(25(33)20-6-5-7-21(28)13-20)14-24(34)31-15-18-8-10-19(11-9-18)27(29)30/h5-11,13,16-17,32H,4,12,14-15,28H2,1-3H3,(H3,29,30)(H,31,34)