8-chloranyl-7-(diethylamino)-4-[3-[5-(hydroxymethyl)-1,2,3-triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-chloranyl-7-(diethylamino)-4-[3-[5-(hydroxymethyl)-1,2,3-triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-chloro-7-(diethylamino)-4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-chloro-7-(diethylamino)-4-[3-[5-(hydroxymethyl)-1-triazolyl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-chloro-7-(diethylamino)-4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-chloro-7-(diethylamino)-4-[3-(5-methyloltriazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=CC=C3)N4C(=CN=N4)CO)Cl

Isomeric SMILES

CCN(CC)C1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=CC=C3)N4C(=CN=N4)CO)Cl

InChI

InChI=1S/C22H23ClN6O2/c1-3-28(4-2)21-10-20-19(9-17(21)23)26-22(31)11-18(25-20)14-6-5-7-15(8-14)29-16(13-30)12-24-27-29/h5-10,12,30H,3-4,11,13H2,1-2H3,(H,26,31)