1-(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)urea CAS Name: 1-(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)-3-[2-(4-ethyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[2-(4-ethylpiperazino)phenyl]-3-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)urea Formula: C21H32N6O MolecularWeight: 384.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)NC3=C(N(N=C3C)C(C)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)NC3=C(N(N=C3C)C(C)C)C

InChI

InChI=1S/C21H32N6O/c1-6-25-11-13-26(14-12-25)19-10-8-7-9-18(19)22-21(28)23-20-16(4)24-27(15(2)3)17(20)5/h7-10,15H,6,11-14H2,1-5H3,(H2,22,23,28)