1-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]urea Formula: C23H35N5O MolecularWeight: 397.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCN(CC3)C

InChI

InChI=1S/C23H35N5O/c1-23(2,3)18-8-10-19(11-9-18)25-22(29)24-17-21(20-7-6-12-27(20)5)28-15-13-26(4)14-16-28/h6-12,21H,13-17H2,1-5H3,(H2,24,25,29)