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

Systemtic Name: N-[[4-carbamimidoyl-2-(2-methylpropylamino)phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide Openeye Name: N-[[4-carbamimidoyl-2-(isobutylamino)phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide CAS Name: N-[[4-carbamimidoyl-2-(2-methylpropylamino)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide IUPAC Name: N-[[4-carbamimidoyl-2-(2-methylpropylamino)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide Traditional Name: N-[4-amidino-2-(isobutylamino)benzyl]-3,5-dimethoxy-4-methyl-benzamide Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(C)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(C)C)OC

InChI

InChI=1S/C22H30N4O3/c1-13(2)11-25-18-8-15(21(23)24)6-7-16(18)12-26-22(27)17-9-19(28-4)14(3)20(10-17)29-5/h6-10,13,25H,11-12H2,1-5H3,(H3,23,24)(H,26,27)