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

Systemtic Name: (E)-3-(4-ethoxy-3-methoxy-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-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O3/c1-3-29-22-12-10-20(18-23(22)28-2)11-13-24(27)26-15-7-14-25(16-17-26)19-21-8-5-4-6-9-21/h4-6,8-13,18H,3,7,14-17,19H2,1-2H3/b13-11+