N-[4-[[7-chloranyl-5-[methoxy(oxidanyl)phosphinothioyl]oxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[7-chloranyl-5-[methoxy(oxidanyl)phosphinothioyl]oxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[7-chloro-5-[hydroxy(methoxy)phosphinothioyl]oxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[7-chloro-5-[hydroxy(methoxy)phosphinothioyl]oxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[7-chloro-5-[hydroxy(methoxy)phosphinothioyl]oxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[7-chloro-5-[hydroxy(methoxy)thiophosphoryl]oxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Formula: C27H28ClN2O5PS MolecularWeight: 559.013381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OP(=S)(O)OC)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OP(=S)(O)OC)C

InChI

InChI=1S/C27H28ClN2O5PS/c1-17-7-4-5-8-21(17)26(31)29-20-11-12-22(18(2)15-20)27(32)30-14-6-9-25(35-36(33,37)34-3)23-16-19(28)10-13-24(23)30/h4-5,7-8,10-13,15-16,25H,6,9,14H2,1-3H3,(H,29,31)(H,33,37)