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

Systemtic Name: 1-butyl-3-(3-fluorophenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]urea Openeye Name: 1-butyl-3-(3-fluorophenyl)-1-[2-oxo-2-[4-(p-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]urea CAS Name: 1-butyl-3-(3-fluorophenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea IUPAC Name: 1-butyl-3-(3-fluorophenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea Traditional Name: 1-butyl-3-(3-fluorophenyl)-1-[2-keto-2-[4-(p-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]urea Formula: C31H31FN4O2 MolecularWeight: 510.601843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC=C(C=C4)C)C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

CCCCN(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC=C(C=C4)C)C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C31H31FN4O2/c1-3-4-18-34(31(38)33-25-10-7-9-24(32)20-25)21-29(37)36-27-12-6-5-11-26(27)35-19-8-13-28(35)30(36)23-16-14-22(2)15-17-23/h5-17,19-20,30H,3-4,18,21H2,1-2H3,(H,33,38)