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

Systemtic Name: 1-butyl-7-chloranyl-3-(hydroxymethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-7-chloro-3-(hydroxymethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 1-butyl-7-chloro-3-(hydroxymethyl)-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-7-chloro-3-(hydroxymethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-methylol-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CO

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CO

InChI

InChI=1S/C20H21ClN2O3/c1-2-3-10-23-18-9-6-14(21)11-16(18)19(22-17(12-24)20(23)26)13-4-7-15(25)8-5-13/h4-9,11,17,22,24H,2-3,10,12H2,1H3