(5-tert-butyl-2-methyl-pyrazol-3-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-allyl-1,4-diazepan-1-yl)-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-allyl-1,4-diazepan-1-yl)-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone Formula: C17H28N4O MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC=C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC=C)C

InChI

InChI=1S/C17H28N4O/c1-6-8-20-9-7-10-21(12-11-20)16(22)14-13-15(17(2,3)4)18-19(14)5/h6,13H,1,7-12H2,2-5H3