2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-[4-[(3-carbamimidoylphenyl)-oxidanyl-methyl]-3-methyl-phenyl]ethanamide

Systemtic Name: 2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-[4-[(3-carbamimidoylphenyl)-oxidanyl-methyl]-3-methyl-phenyl]ethanamide Openeye Name: N-[4-[(3-carbamimidoylphenyl)-hydroxy-methyl]-3-methyl-phenyl]-2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]acetamide CAS Name: N-[4-[(3-carbamimidoylphenyl)-hydroxymethyl]-3-methylphenyl]-2-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]acetamide IUPAC Name: N-[4-[(3-carbamimidoylphenyl)-hydroxymethyl]-3-methylphenyl]-2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]acetamide Traditional Name: N-[4-[(3-amidinophenyl)-hydroxy-methyl]-3-methyl-phenyl]-2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]acetamide Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=CC(=C(N)N)C=CC2=O)C(C3=CC=CC(=C3)C(=N)N)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=CC(=C(N)N)C=CC2=O)C(C3=CC=CC(=C3)C(=N)N)O

InChI

InChI=1S/C24H25N5O3/c1-13-9-18(29-21(31)12-17-11-16(24(27)28)5-8-20(17)30)6-7-19(13)22(32)14-3-2-4-15(10-14)23(25)26/h2-11,22,32H,12,27-28H2,1H3,(H3,25,26)(H,29,31)