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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-4-methyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-4-methyl-indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-4-methyl-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-4-methylindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[4-(dimethylamino)benzyl]-4-methyl-indole-2-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C27H29N5O/c1-18-6-4-9-24-23(18)15-25(32(24)17-20-7-5-8-21(14-20)26(28)29)27(33)30-16-19-10-12-22(13-11-19)31(2)3/h4-15H,16-17H2,1-3H3,(H3,28,29)(H,30,33)