2-chloranyl-N-[4-[[7-chloranyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]-2,3,4,5,5a,6,7,9a-octahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[4-[[7-chloranyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]-2,3,4,5,5a,6,7,9a-octahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]benzamide Openeye Name: 2-chloro-N-[4-[7-chloro-5-[2-(methylamino)-2-oxo-ethyl]-2,3,4,5,5a,6,7,9a-octahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]benzamide CAS Name: 2-chloro-N-[4-[[7-chloro-5-[2-(methylamino)-2-oxoethyl]-2,3,4,5,5a,6,7,9a-octahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]benzamide IUPAC Name: 2-chloro-N-[4-[7-chloro-5-[2-(methylamino)-2-oxoethyl]-2,3,4,5,5a,6,7,9a-octahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]benzamide Traditional Name: 2-chloro-N-[4-[7-chloro-5-[2-keto-2-(methylamino)ethyl]-2,3,4,5,5a,6,7,9a-octahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]benzamide Formula: C28H31Cl2N3O3 MolecularWeight: 528.47004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)N3CCCC(C4C3C=CC(C4)Cl)CC(=O)NC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)N3CCCC(C4C3C=CC(C4)Cl)CC(=O)NC

InChI

InChI=1S/C28H31Cl2N3O3/c1-17-14-20(32-27(35)22-7-3-4-8-24(22)30)10-11-21(17)28(36)33-13-5-6-18(15-26(34)31-2)23-16-19(29)9-12-25(23)33/h3-4,7-12,14,18-19,23,25H,5-6,13,15-16H2,1-2H3,(H,31,34)(H,32,35)