6,9-bis(chloranyl)-5-(4-propan-2-ylphenyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 6,9-bis(chloranyl)-5-(4-propan-2-ylphenyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 6,9-dichloro-5-(4-isopropylphenyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 6,9-dichloro-5-(4-propan-2-ylphenyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 6,9-dichloro-5-(4-propan-2-ylphenyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: (6,9-dichloro-5-p-cumenyl-3H-1,4-benzodiazepin-2-yl)amine Formula: C18H17Cl2N3 MolecularWeight: 346.25368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NCC(=NC3=C(C=CC(=C32)Cl)Cl)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NCC(=NC3=C(C=CC(=C32)Cl)Cl)N

InChI

InChI=1S/C18H17Cl2N3/c1-10(2)11-3-5-12(6-4-11)17-16-13(19)7-8-14(20)18(16)23-15(21)9-22-17/h3-8,10H,9H2,1-2H3,(H2,21,23)