(E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-19-9-11-22(27-2)21(17-19)10-12-23(26)25-14-6-13-24(15-16-25)18-20-7-4-3-5-8-20/h3-5,7-12,17H,6,13-16,18H2,1-2H3/b12-10+