N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxidanylidene-3-(phenethylamino)quinolin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxidanylidene-3-(phenethylamino)quinolin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxo-3-(phenethylamino)-1-quinolyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxo-3-(phenethylamino)-1-quinolinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxo-3-(phenethylamino)quinolin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-keto-3-(phenethylamino)-1-quinolyl]acetamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O2/c28-26(29)21-12-10-20(11-13-21)17-31-25(33)18-32-24-9-5-4-8-22(24)16-23(27(32)34)30-15-14-19-6-2-1-3-7-19/h1-13,16,30H,14-15,17-18H2,(H3,28,29)(H,31,33)