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

Systemtic Name: 8-chloranyl-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Openeye Name: 8-chloro-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one CAS Name: 8-chloro-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 8-chloro-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-8-chloro-5-(3-hydroxyphenyl)-3-methylol-3H-1,4-benzodiazepin-2-one Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CO)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CO)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H23ClN2O3/c1-2-3-4-10-24-19-12-15(22)8-9-17(19)20(23-18(13-25)21(24)27)14-6-5-7-16(26)11-14/h5-9,11-12,18,25-26H,2-4,10,13H2,1H3