4-[6-(phenacylamino)-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl]benzenecarboximidamide

Systemtic Name: 4-[6-(phenacylamino)-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl]benzenecarboximidamide Openeye Name: 4-[6-(phenacylamino)-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl]benzamidine CAS Name: 4-[1-(1-oxopropyl)-6-(phenacylamino)-3,4-dihydro-2H-quinolin-3-yl]benzenecarboximidamide IUPAC Name: 4-[6-(phenacylamino)-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl]benzenecarboximidamide Traditional Name: 4-[6-(phenacylamino)-1-propionyl-3,4-dihydro-2H-quinolin-3-yl]benzamidine Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(CC2=C1C=CC(=C2)NCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCC(=O)N1CC(CC2=C1C=CC(=C2)NCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N4O2/c1-2-26(33)31-17-22(18-8-10-20(11-9-18)27(28)29)14-21-15-23(12-13-24(21)31)30-16-25(32)19-6-4-3-5-7-19/h3-13,15,22,30H,2,14,16-17H2,1H3,(H3,28,29)