N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-indole-2-carboxamide

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-indole-2-carboxamide Openeye Name: 5-benzyloxy-N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-2-indolecarboxamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-5-phenylmethoxyindole-2-carboxamide Traditional Name: N-(3-amidinobenzyl)-5-benzoxy-1-(3-cyanobenzyl)indole-2-carboxamide Formula: C32H27N5O2 MolecularWeight: 513.58908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)NCC4=CC=CC(=C4)C(=N)N)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)NCC4=CC=CC(=C4)C(=N)N)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C32H27N5O2/c33-18-23-8-4-10-25(14-23)20-37-29-13-12-28(39-21-22-6-2-1-3-7-22)16-27(29)17-30(37)32(38)36-19-24-9-5-11-26(15-24)31(34)35/h1-17H,19-21H2,(H3,34,35)(H,36,38)