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

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

Systemtic Name:5-(2-chlorophenyl)-7-isocyanato-3,3-dimethyl-1-propan-2-yl-1,4-benzodiazepin-2-one
Openeye Name:5-(2-chlorophenyl)-7-isocyanato-1-isopropyl-3,3-dimethyl-1,4-benzodiazepin-2-one
CAS Name:5-(2-chlorophenyl)-7-isocyanato-3,3-dimethyl-1-propan-2-yl-1,4-benzodiazepin-2-one
IUPAC Name:5-(2-chlorophenyl)-7-isocyanato-3,3-dimethyl-1-propan-2-yl-1,4-benzodiazepin-2-one
Traditional Name:5-(2-chlorophenyl)-7-isocyanato-1-isopropyl-3,3-dimethyl-1,4-benzodiazepin-2-one
Formula: C21H20ClN3O2
MolecularWeight: 381.8554
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)N=C=O)C(=NC(C1=O)(C)C)C3=CC=CC=C3Cl


Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)N=C=O)C(=NC(C1=O)(C)C)C3=CC=CC=C3Cl


InChI

InChI=1S/C21H20ClN3O2/c1-13(2)25-18-10-9-14(23-12-26)11-16(18)19(24-21(3,4)20(25)27)15-7-5-6-8-17(15)22/h5-11,13H,1-4H3


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