1-[1-(4-azanyl-3-methyl-phenyl)-8-chloranyl-4-methyl-2,3-benzodiazepin-3-yl]propan-1-one

Systemtic Name: 1-[1-(4-azanyl-3-methyl-phenyl)-8-chloranyl-4-methyl-2,3-benzodiazepin-3-yl]propan-1-one Openeye Name: 1-[1-(4-amino-3-methyl-phenyl)-8-chloro-4-methyl-2,3-benzodiazepin-3-yl]propan-1-one CAS Name: 1-[1-(4-amino-3-methylphenyl)-8-chloro-4-methyl-2,3-benzodiazepin-3-yl]-1-propanone IUPAC Name: 1-[1-(4-amino-3-methylphenyl)-8-chloro-4-methyl-2,3-benzodiazepin-3-yl]propan-1-one Traditional Name: 1-[1-(4-amino-3-methyl-phenyl)-8-chloro-4-methyl-2,3-benzodiazepin-3-yl]propan-1-one Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC(=C(C=C3)N)C)C

Isomeric SMILES

CCC(=O)N1C(=CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC(=C(C=C3)N)C)C

InChI

InChI=1S/C20H20ClN3O/c1-4-19(25)24-13(3)10-14-5-7-16(21)11-17(14)20(23-24)15-6-8-18(22)12(2)9-15/h5-11H,4,22H2,1-3H3