2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-yl-ethanamide

Systemtic Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-(4-pyridyl)acetamide CAS Name: 2-[(3S)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-ylacetamide IUPAC Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-pyridin-4-ylacetamide Traditional Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-(4-pyridyl)acetamide Formula: C29H23FN6O3 MolecularWeight: 522.529723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC4=CC=NC=C4)NC(=O)NC5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)C2=N[C@@H](C(=O)N(C3=CC=CC=C32)CC(=O)NC4=CC=NC=C4)NC(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C29H23FN6O3/c30-22-11-5-6-12-23(22)33-29(39)35-27-28(38)36(18-25(37)32-20-14-16-31-17-15-20)24-13-7-4-10-21(24)26(34-27)19-8-2-1-3-9-19/h1-17,27H,18H2,(H,31,32,37)(H2,33,35,39)/t27-/m1/s1