N-[5-[[7-chloranyl-5-(hydroxymethyl)-5-oxidanyl-3,4-dihydro-2H-1-benzazepin-1-yl]carbonyl]pyridin-2-yl]-2-methyl-benzamide

Systemtic Name: N-[5-[[7-chloranyl-5-(hydroxymethyl)-5-oxidanyl-3,4-dihydro-2H-1-benzazepin-1-yl]carbonyl]pyridin-2-yl]-2-methyl-benzamide Openeye Name: N-[5-[7-chloro-5-hydroxy-5-(hydroxymethyl)-3,4-dihydro-2H-1-benzazepine-1-carbonyl]-2-pyridyl]-2-methyl-benzamide CAS Name: N-[5-[[7-chloro-5-hydroxy-5-(hydroxymethyl)-3,4-dihydro-2H-1-benzazepin-1-yl]-oxomethyl]-2-pyridinyl]-2-methylbenzamide IUPAC Name: N-[5-[7-chloro-5-hydroxy-5-(hydroxymethyl)-3,4-dihydro-2H-1-benzazepine-1-carbonyl]pyridin-2-yl]-2-methylbenzamide Traditional Name: N-[5-(7-chloro-5-hydroxy-5-methylol-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridyl]-2-methyl-benzamide Formula: C25H24ClN3O4 MolecularWeight: 465.92876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NC=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)(CO)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=NC=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)(CO)O

InChI

InChI=1S/C25H24ClN3O4/c1-16-5-2-3-6-19(16)23(31)28-22-10-7-17(14-27-22)24(32)29-12-4-11-25(33,15-30)20-13-18(26)8-9-21(20)29/h2-3,5-10,13-14,30,33H,4,11-12,15H2,1H3,(H,27,28,31)