1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-3-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-3-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-3-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-3-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-3-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[4-(dimethylamino)benzyl]indole-3-carboxamide Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H27N5O/c1-30(2)21-12-10-18(11-13-21)15-29-26(32)23-17-31(24-9-4-3-8-22(23)24)16-19-6-5-7-20(14-19)25(27)28/h3-14,17H,15-16H2,1-2H3,(H3,27,28)(H,29,32)