1-(5-tert-butyl-2-methoxy-phenyl)-3-[6-[(2-methyl-3-oxidanylidene-piperazin-1-yl)methyl]pyridin-3-yl]urea

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[6-[(2-methyl-3-oxidanylidene-piperazin-1-yl)methyl]pyridin-3-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[6-[(2-methyl-3-oxo-piperazin-1-yl)methyl]-3-pyridyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[6-[(2-methyl-3-oxo-1-piperazinyl)methyl]-3-pyridinyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[6-[(2-methyl-3-oxopiperazin-1-yl)methyl]pyridin-3-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[6-[(3-keto-2-methyl-piperazino)methyl]-3-pyridyl]urea Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCN1CC2=NC=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CC1C(=O)NCCN1CC2=NC=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C23H31N5O3/c1-15-21(29)24-10-11-28(15)14-18-8-7-17(13-25-18)26-22(30)27-19-12-16(23(2,3)4)6-9-20(19)31-5/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,24,29)(H2,26,27,30)