1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[4-(dimethylamino)benzyl]indole-2-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=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N

InChI

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