2-azanyl-3-ethoxy-1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b][1,4]benzodiazepin-5-one

Systemtic Name: 2-azanyl-3-ethoxy-1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b][1,4]benzodiazepin-5-one Openeye Name: 2-amino-3-ethoxy-1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b][1,4]benzodiazepin-5-one CAS Name: 2-amino-3-ethoxy-1-[(4-fluorophenyl)methyl]-5-pyrrolo[2,3-b][1,4]benzodiazepinone IUPAC Name: 2-amino-3-ethoxy-1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b][1,4]benzodiazepin-5-one Traditional Name: 2-amino-3-ethoxy-1-(4-fluorobenzyl)pyrrolo[2,3-b][1,4]benzodiazepin-5-one Formula: C20H17FN4O2 MolecularWeight: 364.372983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N(C2=NC3=CC=CC=C3C(=O)N=C12)CC4=CC=C(C=C4)F)N

Isomeric SMILES

CCOC1=C(N(C2=NC3=CC=CC=C3C(=O)N=C12)CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H17FN4O2/c1-2-27-17-16-19(23-15-6-4-3-5-14(15)20(26)24-16)25(18(17)22)11-12-7-9-13(21)10-8-12/h3-10H,2,11,22H2,1H3