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

Systemtic Name: 1-butyl-3-(3-chloranyl-4-methyl-phenyl)-1-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]urea Openeye Name: 1-butyl-3-(3-chloro-4-methyl-phenyl)-1-[2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]urea CAS Name: 1-butyl-3-(3-chloro-4-methylphenyl)-1-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea IUPAC Name: 1-butyl-3-(3-chloro-4-methylphenyl)-1-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea Traditional Name: 1-butyl-3-(3-chloro-4-methyl-phenyl)-1-[2-keto-2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]urea Formula: C32H33ClN4O2 MolecularWeight: 541.08302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33ClN4O2/c1-4-5-17-35(32(39)34-25-16-15-23(3)26(33)20-25)21-30(38)37-28-13-7-6-12-27(28)36-18-9-14-29(36)31(37)24-11-8-10-22(2)19-24/h6-16,18-20,31H,4-5,17,21H2,1-3H3,(H,34,39)