1-(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)-3-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]urea

Systemtic Name: 1-(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)-3-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]urea Openeye Name: 1-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea CAS Name: 1-[1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]-3-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]urea IUPAC Name: 1-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea Traditional Name: 1-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-3-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]urea Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NC(=O)NC2=CC(=C(C=C2)OC)N3CCCC3=O

Isomeric SMILES

CC(C)(C)C(CN1C=CN=C1)NC(=O)NC2=CC(=C(C=C2)OC)N3CCCC3=O

InChI

InChI=1S/C21H29N5O3/c1-21(2,3)18(13-25-11-9-22-14-25)24-20(28)23-15-7-8-17(29-4)16(12-15)26-10-5-6-19(26)27/h7-9,11-12,14,18H,5-6,10,13H2,1-4H3,(H2,23,24,28)