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

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(2-naphthylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-(2-naphthalenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(2-naphthylmethyl)-1,4-diazepan-1-yl]methanone Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C25H32N4O/c1-25(2,3)23-17-22(27(4)26-23)24(30)29-13-7-12-28(14-15-29)18-19-10-11-20-8-5-6-9-21(20)16-19/h5-6,8-11,16-17H,7,12-15,18H2,1-4H3