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

Systemtic Name: N-[4-[[7-chloranyl-5-(hydroxymethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[7-chloro-5-(hydroxymethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[7-chloro-5-(hydroxymethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[7-chloro-5-(hydroxymethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-(7-chloro-5-methylol-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methyl-benzamide Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O3/c1-17-5-2-3-7-22(17)25(31)28-21-11-8-18(9-12-21)26(32)29-14-4-6-19(16-30)23-15-20(27)10-13-24(23)29/h2-3,5,7-13,15,19,30H,4,6,14,16H2,1H3,(H,28,31)