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

Systemtic Name: 2-azanyl-3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolo[2,3-b][1,4]benzodiazepin-5-one Openeye Name: 2-amino-3-[2-(4-fluorophenyl)ethylamino]-1-(p-tolyl)pyrrolo[2,3-b][1,4]benzodiazepin-5-one CAS Name: 2-amino-3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)-5-pyrrolo[2,3-b][1,4]benzodiazepinone IUPAC Name: 2-amino-3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolo[2,3-b][1,4]benzodiazepin-5-one Traditional Name: 2-amino-3-[2-(4-fluorophenyl)ethylamino]-1-(p-tolyl)pyrrolo[2,3-b][1,4]benzodiazepin-5-one Formula: C26H22FN5O MolecularWeight: 439.484183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=NC(=O)C4=CC=CC=C4N=C32)NCCC5=CC=C(C=C5)F)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=NC(=O)C4=CC=CC=C4N=C32)NCCC5=CC=C(C=C5)F)N

InChI

InChI=1S/C26H22FN5O/c1-16-6-12-19(13-7-16)32-24(28)22(29-15-14-17-8-10-18(27)11-9-17)23-25(32)30-21-5-3-2-4-20(21)26(33)31-23/h2-13,29H,14-15,28H2,1H3