N-butyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-4-pentyl-benzamide

Systemtic Name: N-butyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-4-pentyl-benzamide Openeye Name: N-butyl-N-[2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]-4-pentyl-benzamide CAS Name: N-butyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-pentylbenzamide IUPAC Name: N-butyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-butyl-N-[2-keto-2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide Formula: C36H41N3O2 MolecularWeight: 547.72964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)N2C(C3=CC=CN3C4=CC=CC=C42)C5=CC(=CC=C5)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)N2C(C3=CC=CN3C4=CC=CC=C42)C5=CC(=CC=C5)C

InChI

InChI=1S/C36H41N3O2/c1-4-6-8-14-28-19-21-29(22-20-28)36(41)37(23-7-5-2)26-34(40)39-32-17-10-9-16-31(32)38-24-12-18-33(38)35(39)30-15-11-13-27(3)25-30/h9-13,15-22,24-25,35H,4-8,14,23,26H2,1-3H3