N-[[4-carbamimidoyl-2-[(3-oxidanylidene-3-phenylazanyl-propyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide

Systemtic Name: N-[[4-carbamimidoyl-2-[(3-oxidanylidene-3-phenylazanyl-propyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide Openeye Name: N-[[2-[(3-anilino-3-oxo-propyl)amino]-4-carbamimidoyl-phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide CAS Name: N-[[2-[(3-anilino-3-oxopropyl)amino]-4-carbamimidoylphenyl]methyl]-3,5-dimethoxy-4-methylbenzamide IUPAC Name: N-[[2-[(3-anilino-3-oxopropyl)amino]-4-carbamimidoylphenyl]methyl]-3,5-dimethoxy-4-methylbenzamide Traditional Name: N-[4-amidino-2-[(3-anilino-3-keto-propyl)amino]benzyl]-3,5-dimethoxy-4-methyl-benzamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCCC(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C27H31N5O4/c1-17-23(35-2)14-20(15-24(17)36-3)27(34)31-16-19-10-9-18(26(28)29)13-22(19)30-12-11-25(33)32-21-7-5-4-6-8-21/h4-10,13-15,30H,11-12,16H2,1-3H3,(H3,28,29)(H,31,34)(H,32,33)