(3S,5R)-5-but-3-enyl-1-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepan-2-one

Systemtic Name: (3S,5R)-5-but-3-enyl-1-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepan-2-one Openeye Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-2-one CAS Name: (3S,5R)-5-but-3-enyl-1-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-2-one Traditional Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-(4-hydroxybenzyl)-1,4-diazepan-2-one Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCN(C(=O)C(N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O

Isomeric SMILES

C=CCC[C@@H]1CCN(C(=O)[C@@H](N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C23H28N2O2/c1-2-3-9-20-14-15-25(17-19-10-12-21(26)13-11-19)23(27)22(24-20)16-18-7-5-4-6-8-18/h2,4-8,10-13,20,22,24,26H,1,3,9,14-17H2/t20-,22+/m1/s1