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

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-(4-m-anisyl-1,4-diazepan-1-yl)methanone Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-22(2,3)20-15-19(24(4)23-20)21(27)26-11-7-10-25(12-13-26)16-17-8-6-9-18(14-17)28-5/h6,8-9,14-15H,7,10-13,16H2,1-5H3