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

Systemtic Name: N-[4-[[7-chloranyl-5-(cyanomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-2-methoxy-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[7-chloro-5-(cyanomethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-methoxy-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[7-chloro-5-(cyanomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-2-methoxyphenyl]-2-methylbenzamide IUPAC Name: N-[4-[7-chloro-5-(cyanomethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-methoxyphenyl]-2-methylbenzamide Traditional Name: N-[4-[7-chloro-5-(cyanomethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-methoxy-phenyl]-2-methyl-benzamide Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC#N)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC#N)OC

InChI

InChI=1S/C28H26ClN3O3/c1-18-6-3-4-8-22(18)27(33)31-24-11-9-20(16-26(24)35-2)28(34)32-15-5-7-19(13-14-30)23-17-21(29)10-12-25(23)32/h3-4,6,8-12,16-17,19H,5,7,13,15H2,1-2H3,(H,31,33)