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

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H34N4O MolecularWeight: 382.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=NN3C)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=NN3C)C(C)(C)C)C

InChI

InChI=1S/C23H34N4O/c1-17-8-9-19(14-18(17)2)16-26-10-7-11-27(13-12-26)22(28)20-15-21(23(3,4)5)24-25(20)6/h8-9,14-15H,7,10-13,16H2,1-6H3