N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-nitro-N-phenyl-benzamide

Systemtic Name: N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-nitro-N-phenyl-benzamide Openeye Name: N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-nitro-N-phenyl-benzamide CAS Name: N-[2-methyl-1-(1-oxohexyl)-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide IUPAC Name: N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-nitro-N-phenylbenzamide Traditional Name: N-(1-caproyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-nitro-N-phenyl-benzamide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H31N3O4/c1-3-4-6-18-28(33)30-21(2)19-27(25-16-9-10-17-26(25)30)31(23-13-7-5-8-14-23)29(34)22-12-11-15-24(20-22)32(35)36/h5,7-17,20-21,27H,3-4,6,18-19H2,1-2H3