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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methoxy-indole-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methoxy-indole-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methoxy-2-indolecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methoxyindole-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-(3-cyanobenzyl)-4-methoxy-indole-2-carboxamide Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(N2CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=CC=CC2=C1C=C(N2CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H23N5O2/c1-33-24-7-3-6-22-21(24)13-23(31(22)16-19-5-2-4-18(12-19)14-27)26(32)30-15-17-8-10-20(11-9-17)25(28)29/h2-13H,15-16H2,1H3,(H3,28,29)(H,30,32)