5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3Cl)CCO)C

Isomeric SMILES

CC1(C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3Cl)CCO)C

InChI

InChI=1S/C20H18ClN3O3/c1-20(2)19(27)24(9-10-25)17-8-7-13(22-12-26)11-15(17)18(23-20)14-5-3-4-6-16(14)21/h3-8,11,25H,9-10H2,1-2H3