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

Systemtic Name: N-[[4-carbamimidoyl-2-[(phenylmethyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide Openeye Name: N-[[2-(benzylamino)-4-carbamimidoyl-phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide CAS Name: N-[[4-carbamimidoyl-2-[(phenylmethyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide IUPAC Name: N-[[2-(benzylamino)-4-carbamimidoylphenyl]methyl]-3,5-dimethoxy-4-methylbenzamide Traditional Name: N-[4-amidino-2-(benzylamino)benzyl]-3,5-dimethoxy-4-methyl-benzamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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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)NCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H28N4O3/c1-16-22(31-2)12-20(13-23(16)32-3)25(30)29-15-19-10-9-18(24(26)27)11-21(19)28-14-17-7-5-4-6-8-17/h4-13,28H,14-15H2,1-3H3,(H3,26,27)(H,29,30)