N-[[4-carbamimidoyl-2-[(phenylmethyl)amino]phenyl]methyl]-3-chloranyl-benzamide hydrochloride

Systemtic Name: N-[[4-carbamimidoyl-2-[(phenylmethyl)amino]phenyl]methyl]-3-chloranyl-benzamide hydrochloride Openeye Name: N-[[2-(benzylamino)-4-carbamimidoyl-phenyl]methyl]-3-chloro-benzamide hydrochloride CAS Name: N-[[4-carbamimidoyl-2-[(phenylmethyl)amino]phenyl]methyl]-3-chlorobenzamide hydrochloride IUPAC Name: N-[[2-(benzylamino)-4-carbamimidoylphenyl]methyl]-3-chlorobenzamide hydrochloride Traditional Name: N-[4-amidino-2-(benzylamino)benzyl]-3-chloro-benzamide hydrochloride Formula: C22H22Cl2N4O MolecularWeight: 429.34228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)Cl.Cl

InChI

InChI=1S/C22H21ClN4O.ClH/c23-19-8-4-7-17(11-19)22(28)27-14-18-10-9-16(21(24)25)12-20(18)26-13-15-5-2-1-3-6-15;/h1-12,26H,13-14H2,(H3,24,25)(H,27,28);1H