3-[[2-(4-carbamimidoylphenyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[2-(4-carbamimidoylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzamidine CAS Name: 3-[[2-[(4-carbamimidoylphenyl)-oxomethyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzenecarboximidamide IUPAC Name: 3-[[2-(4-carbamimidoylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[2-(4-amidinobenzoyl)-3,4-dihydro-1H-$b-carbolin-9-yl]methyl]benzamidine Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N)C(=O)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N)C(=O)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H26N6O/c28-25(29)18-8-10-19(11-9-18)27(34)32-13-12-22-21-6-1-2-7-23(21)33(24(22)16-32)15-17-4-3-5-20(14-17)26(30)31/h1-11,14H,12-13,15-16H2,(H3,28,29)(H3,30,31)