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

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C20H29N5O MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=NC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=NC=C3)C

InChI

InChI=1S/C20H29N5O/c1-20(2,3)18-14-17(23(4)22-18)19(26)25-11-5-10-24(12-13-25)15-16-6-8-21-9-7-16/h6-9,14H,5,10-13,15H2,1-4H3