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

Systemtic Name: N-(2-acetamidoethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-(2-acetamidoethyl)-1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(2-acetamidoethyl)-1-[3-(4-carbamimidoylphenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-[3-(4-amidinophenyl)propanoyl]-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C30H33N5O3 MolecularWeight: 511.61472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=O)NCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C30H33N5O3/c1-21(36)33-17-19-34(26-7-3-2-4-8-26)30(38)25-14-15-27-24(20-25)6-5-18-35(27)28(37)16-11-22-9-12-23(13-10-22)29(31)32/h2-4,7-10,12-15,20H,5-6,11,16-19H2,1H3,(H3,31,32)(H,33,36)