N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-phenyl-ethanamide

Systemtic Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-phenyl-ethanamide Openeye Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-phenyl-acetamide CAS Name: N-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-2-phenylacetamide IUPAC Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-phenylacetamide Traditional Name: N-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-phenyl-acetamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N4O2/c28-27(29)21-11-8-19(9-12-21)10-15-26(33)31-16-4-7-22-18-23(13-14-24(22)31)30-25(32)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,11-14,18H,4,7,10,15-17H2,(H3,28,29)(H,30,32)