1-[(3-carbamimidoylphenyl)methyl]-N-[2-(naphthalen-1-ylmethylamino)ethyl]-4-oxidanyl-indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[2-(naphthalen-1-ylmethylamino)ethyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(1-naphthylmethylamino)ethyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(1-naphthalenylmethylamino)ethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(naphthalen-1-ylmethylamino)ethyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-[2-(1-naphthylmethylamino)ethyl]indole-2-carboxamide Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNCCNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNCCNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

InChI

InChI=1S/C30H29N5O2/c31-29(32)22-9-3-6-20(16-22)19-35-26-12-5-13-28(36)25(26)17-27(35)30(37)34-15-14-33-18-23-10-4-8-21-7-1-2-11-24(21)23/h1-13,16-17,33,36H,14-15,18-19H2,(H3,31,32)(H,34,37)