1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C20H32N2O MolecularWeight: 316.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O/c1-16-7-8-18(13-17(16)2)15-21-9-6-10-22(12-11-21)19(23)14-20(3,4)5/h7-8,13H,6,9-12,14-15H2,1-5H3