N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-1-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-pyridin-3-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-1-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-pyridin-3-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-1-[2-(o-tolyl)ethylamino]-2-oxo-3-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-1-[2-(2-methylphenyl)ethylamino]-2-oxo-3-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-1-[2-(2-methylphenyl)ethylamino]-2-oxopyridin-3-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-keto-4-methyl-1-[2-(o-tolyl)ethylamino]-3-pyridyl]acetamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C=C1)NCCC2=CC=CC=C2C)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C(=O)N(C=C1)NCCC2=CC=CC=C2C)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H29N5O2/c1-17-5-3-4-6-20(17)11-13-29-30-14-12-18(2)22(25(30)32)15-23(31)28-16-19-7-9-21(10-8-19)24(26)27/h3-10,12,14,29H,11,13,15-16H2,1-2H3,(H3,26,27)(H,28,31)