1-methyl-3-(2-oxidanylideneazepan-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-methyl-3-(2-oxidanylideneazepan-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-methyl-3-(2-oxoazepan-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-methyl-3-(2-oxo-3-azepanyl)-1-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-methyl-3-(2-oxoazepan-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 3-(2-ketoazepan-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C18H23N5O2/c1-22(18(25)21-16-9-5-6-10-19-17(16)24)12-14-11-20-23(13-14)15-7-3-2-4-8-15/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,19,24)(H,21,25)