1-[4-tert-butyl-1-(4-methylphenyl)pyrrol-2-yl]-3-[4-[[4-[4-(dimethylaminomethyl)phenyl]carbonylpiperazin-1-yl]methyl]-2-fluoranyl-phenyl]urea

Systemtic Name: 1-[4-tert-butyl-1-(4-methylphenyl)pyrrol-2-yl]-3-[4-[[4-[4-(dimethylaminomethyl)phenyl]carbonylpiperazin-1-yl]methyl]-2-fluoranyl-phenyl]urea Openeye Name: 1-[4-tert-butyl-1-(p-tolyl)pyrrol-2-yl]-3-[4-[[4-[4-(dimethylaminomethyl)benzoyl]piperazin-1-yl]methyl]-2-fluoro-phenyl]urea CAS Name: 1-[4-tert-butyl-1-(4-methylphenyl)-2-pyrrolyl]-3-[4-[[4-[[4-(dimethylaminomethyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]-2-fluorophenyl]urea IUPAC Name: 1-[4-tert-butyl-1-(4-methylphenyl)pyrrol-2-yl]-3-[4-[[4-[4-(dimethylaminomethyl)benzoyl]piperazin-1-yl]methyl]-2-fluorophenyl]urea Traditional Name: 1-[4-tert-butyl-1-(p-tolyl)pyrrol-2-yl]-3-[4-[[4-[4-(dimethylaminomethyl)benzoyl]piperazino]methyl]-2-fluoro-phenyl]urea Formula: C37H45FN6O2 MolecularWeight: 624.790603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=C2NC(=O)NC3=C(C=C(C=C3)CN4CCN(CC4)C(=O)C5=CC=C(C=C5)CN(C)C)F)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=C2NC(=O)NC3=C(C=C(C=C3)CN4CCN(CC4)C(=O)C5=CC=C(C=C5)CN(C)C)F)C(C)(C)C

InChI

InChI=1S/C37H45FN6O2/c1-26-7-14-31(15-8-26)44-25-30(37(2,3)4)22-34(44)40-36(46)39-33-16-11-28(21-32(33)38)24-42-17-19-43(20-18-42)35(45)29-12-9-27(10-13-29)23-41(5)6/h7-16,21-22,25H,17-20,23-24H2,1-6H3,(H2,39,40,46)