7-chloranyl-2-[2-(3,5-dimethyl-4-oxidanyl-phenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 7-chloranyl-2-[2-(3,5-dimethyl-4-oxidanyl-phenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Openeye Name: 7-chloro-2-[2-(4-hydroxy-3,5-dimethyl-phenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one CAS Name: 7-chloro-2-[2-(4-hydroxy-3,5-dimethylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 7-chloro-2-[2-(4-hydroxy-3,5-dimethylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Traditional Name: 7-chloro-2-[2-(4-hydroxy-3,5-dimethyl-phenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CCNC2=NC3=C(C=C(C=C3)Cl)C(=O)N(C2)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CCNC2=NC3=C(C=C(C=C3)Cl)C(=O)N(C2)C

InChI

InChI=1S/C20H22ClN3O2/c1-12-8-14(9-13(2)19(12)25)6-7-22-18-11-24(3)20(26)16-10-15(21)4-5-17(16)23-18/h4-5,8-10,25H,6-7,11H2,1-3H3,(H,22,23)