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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[2-(naphthalen-1-ylamino)ethyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(1-naphthylamino)ethyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(1-naphthalenylamino)ethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(naphthalen-1-ylamino)ethyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-[2-(1-naphthylamino)ethyl]indole-2-carboxamide Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NCCNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NCCNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

InChI

InChI=1S/C29H27N5O2/c30-28(31)21-9-3-6-19(16-21)18-34-25-12-5-13-27(35)23(25)17-26(34)29(36)33-15-14-32-24-11-4-8-20-7-1-2-10-22(20)24/h1-13,16-17,32,35H,14-15,18H2,(H3,30,31)(H,33,36)