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

Systemtic Name: 1-[2-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)urea Openeye Name: 1-[2-(azepan-1-yl)phenyl]-3-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)urea CAS Name: 1-[2-(1-azepanyl)phenyl]-3-(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)urea IUPAC Name: 1-[2-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)urea Traditional Name: 1-[2-(azepan-1-yl)phenyl]-3-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)urea Formula: C21H31N5O MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)NC(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)NC(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C21H31N5O/c1-15(2)26-17(4)20(16(3)24-26)23-21(27)22-18-11-7-8-12-19(18)25-13-9-5-6-10-14-25/h7-8,11-12,15H,5-6,9-10,13-14H2,1-4H3,(H2,22,23,27)