3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-5-(3-hydroxyphenyl)-3-methylol-3H-1,4-benzodiazepin-2-one Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CO)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CO)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H24N2O3/c1-2-3-6-12-23-19-11-5-4-10-17(19)20(22-18(14-24)21(23)26)15-8-7-9-16(25)13-15/h4-5,7-11,13,18,24-25H,2-3,6,12,14H2,1H3