7-chloranyl-N-[(E)-1-chloranylpentan-2-ylideneamino]-5-phenyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-[(E)-1-chloranylpentan-2-ylideneamino]-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-[(E)-1-(chloromethyl)butylideneamino]-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-[(E)-1-chloropentan-2-ylideneamino]-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-[(E)-1-chloropentan-2-ylideneamino]-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [(E)-1-(chloromethyl)butylideneamino]-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amine Formula: C20H20Cl2N4 MolecularWeight: 387.3056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)CCl

Isomeric SMILES

CCC/C(=N\NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)/CCl

InChI

InChI=1S/C20H20Cl2N4/c1-2-6-16(12-21)25-26-19-13-23-20(14-7-4-3-5-8-14)17-11-15(22)9-10-18(17)24-19/h3-5,7-11H,2,6,12-13H2,1H3,(H,24,26)/b25-16+