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

Systemtic Name: N-[(E)-1-chloranylpropan-2-ylideneamino]-7-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-[(E)-(2-chloro-1-methyl-ethylidene)amino]-7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-[(E)-1-chloropropan-2-ylideneamino]-7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-[(E)-1-chloropropan-2-ylideneamino]-7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [(E)-(2-chloro-1-methyl-ethylidene)amino]-(7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amine Formula: C18H16ClFN4 MolecularWeight: 342.797843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(C=C(C=C2)F)C(=NC1)C3=CC=CC=C3)CCl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN4/c1-12(10-19)23-24-17-11-21-18(13-5-3-2-4-6-13)15-9-14(20)7-8-16(15)22-17/h2-9H,10-11H2,1H3,(H,22,24)/b23-12+