4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1,4-diazepan-5-one Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(E)-2-methyl-3-phenyl-allyl]-1,4-diazepan-5-one CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1,4-diazepan-5-one IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1,4-diazepan-5-one Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(E)-2-methyl-3-phenyl-allyl]-1,4-diazepan-5-one Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C23H25ClN2O3/c1-17(11-18-5-3-2-4-6-18)14-25-8-7-23(27)26(10-9-25)15-19-12-21-22(13-20(19)24)29-16-28-21/h2-6,11-13H,7-10,14-16H2,1H3/b17-11+