7-chloranyl-3-(hydroxymethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-(hydroxymethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-(hydroxymethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-(hydroxymethyl)-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-(hydroxymethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-methylol-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CO

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CO

InChI

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