3-carbamimidoyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-benzamide

Systemtic Name: 3-carbamimidoyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-benzamide Openeye Name: 3-carbamimidoyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-N-phenyl-benzamide CAS Name: 3-carbamimidoyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-phenylbenzamide IUPAC Name: 3-carbamimidoyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-phenylbenzamide Traditional Name: 3-amidino-N-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]-N-phenyl-benzamide Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H21ClN4O2/c24-19-11-9-16(10-12-19)14-27-21(29)15-28(20-7-2-1-3-8-20)23(30)18-6-4-5-17(13-18)22(25)26/h1-13H,14-15H2,(H3,25,26)(H,27,29)