1-(3-cyanophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(3-cyanophenyl)-3-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]urea Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H29N5O2/c1-24(2,3)16-22(30)29-13-11-28(12-14-29)21-9-7-19(8-10-21)26-23(31)27-20-6-4-5-18(15-20)17-25/h4-10,15H,11-14,16H2,1-3H3,(H2,26,27,31)