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

Systemtic Name: 7-chloranyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Openeye Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one CAS Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Traditional Name: 7-chloro-2-(homoveratrylamino)-4-methyl-3H-1,4-benzodiazepin-5-one Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=NC2=C(C1=O)C=C(C=C2)Cl)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1CC(=NC2=C(C1=O)C=C(C=C2)Cl)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22ClN3O3/c1-24-12-19(23-16-6-5-14(21)11-15(16)20(24)25)22-9-8-13-4-7-17(26-2)18(10-13)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23)