N-(2-azanylethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide hydrochloride

Systemtic Name: N-(2-azanylethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide hydrochloride Openeye Name: N-(2-aminoethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide hydrochloride CAS Name: N-(2-aminoethyl)-1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide hydrochloride IUPAC Name: N-(2-aminoethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide hydrochloride Traditional Name: 1-[3-(4-amidinophenyl)propanoyl]-N-(2-aminoethyl)-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide hydrochloride Formula: C28H32ClN5O2 MolecularWeight: 506.03898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)N(CCN)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)N(CCN)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C28H31N5O2.ClH/c29-16-18-32(24-6-2-1-3-7-24)28(35)23-13-14-25-22(19-23)5-4-17-33(25)26(34)15-10-20-8-11-21(12-9-20)27(30)31;/h1-3,6-9,11-14,19H,4-5,10,15-18,29H2,(H3,30,31);1H