(4-cyclobutyl-1,4-diazepan-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

Systemtic Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Openeye Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone CAS Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methanone IUPAC Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Traditional Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4)C

InChI

InChI=1S/C21H28N4O/c1-16-15-17(2)25(22-16)20-9-7-18(8-10-20)21(26)24-12-4-11-23(13-14-24)19-5-3-6-19/h7-10,15,19H,3-6,11-14H2,1-2H3