2-chloranyl-3-(2-methoxy-5-pyridin-2-yl-4,5-dihydro-1H-1,4-benzodiazepin-3-yl)but-2-enoic acid

Systemtic Name: 2-chloranyl-3-(2-methoxy-5-pyridin-2-yl-4,5-dihydro-1H-1,4-benzodiazepin-3-yl)but-2-enoic acid Openeye Name: 2-chloro-3-[2-methoxy-5-(2-pyridyl)-4,5-dihydro-1H-1,4-benzodiazepin-3-yl]but-2-enoic acid CAS Name: 2-chloro-3-[2-methoxy-5-(2-pyridinyl)-4,5-dihydro-1H-1,4-benzodiazepin-3-yl]-2-butenoic acid IUPAC Name: 2-chloro-3-(2-methoxy-5-pyridin-2-yl-4,5-dihydro-1H-1,4-benzodiazepin-3-yl)but-2-enoic acid Traditional Name: 2-chloro-3-[2-methoxy-5-(2-pyridyl)-4,5-dihydro-1H-1,4-benzodiazepin-3-yl]but-2-enoic acid Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)Cl)C1=C(NC2=CC=CC=C2C(N1)C3=CC=CC=N3)OC

Isomeric SMILES

CC(=C(C(=O)O)Cl)C1=C(NC2=CC=CC=C2C(N1)C3=CC=CC=N3)OC

InChI

InChI=1S/C19H18ClN3O3/c1-11(15(20)19(24)25)16-18(26-2)22-13-8-4-3-7-12(13)17(23-16)14-9-5-6-10-21-14/h3-10,17,22-23H,1-2H3,(H,24,25)