1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[(E)-2-methyl-3-phenyl-allyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-[(E)-2-methyl-3-phenyl-allyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCC(=O)N(CC2)CC3=CC=NC=C3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCC(=O)N(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H25N3O/c1-18(15-19-5-3-2-4-6-19)16-23-12-9-21(25)24(14-13-23)17-20-7-10-22-11-8-20/h2-8,10-11,15H,9,12-14,16-17H2,1H3/b18-15+