1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O/c1-25(2,3)23-13-10-22(11-14-23)20-26-16-7-17-27(19-18-26)24(28)15-12-21-8-5-4-6-9-21/h4-6,8-11,13-14H,7,12,15-20H2,1-3H3