N-[(4-carbamimidoylphenyl)methyl]-1-[2-[3-(dimethylamino)phenyl]-2-oxidanyl-ethanoyl]azetidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-[3-(dimethylamino)phenyl]-2-oxidanyl-ethanoyl]azetidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-[3-(dimethylamino)phenyl]-2-hydroxy-acetyl]azetidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-[3-(dimethylamino)phenyl]-2-hydroxy-1-oxoethyl]-2-azetidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-[3-(dimethylamino)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-[3-(dimethylamino)phenyl]-2-hydroxy-acetyl]azetidine-2-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C22H27N5O3/c1-26(2)17-5-3-4-16(12-17)19(28)22(30)27-11-10-18(27)21(29)25-13-14-6-8-15(9-7-14)20(23)24/h3-9,12,18-19,28H,10-11,13H2,1-2H3,(H3,23,24)(H,25,29)