(5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(2-furylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(2-furfuryl)-1,4-diazepan-1-yl]methanone Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)C

InChI

InChI=1S/C19H28N4O2/c1-19(2,3)17-13-16(21(4)20-17)18(24)23-9-6-8-22(10-11-23)14-15-7-5-12-25-15/h5,7,12-13H,6,8-11,14H2,1-4H3