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

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-(m-tolylmethyl)-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(3-methylbenzyl)-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-19-7-5-10-21(17-19)18-23-13-6-14-24(16-15-23)22(25)12-11-20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3