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

Systemtic Name: N-[4-[[7-chloranyl-5-[2-oxidanylidene-2-(piperidin-4-ylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[7-chloro-5-[2-oxo-2-(4-piperidylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[7-chloro-5-[2-oxo-2-(4-piperidinylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[7-chloro-5-[2-oxo-2-(piperidin-4-ylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[7-chloro-5-[2-keto-2-(4-piperidylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Formula: C33H37ClN4O4 MolecularWeight: 589.12428

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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)OCC(=O)NC5CCNCC5)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OCC(=O)NC5CCNCC5)C

InChI

InChI=1S/C33H37ClN4O4/c1-21-6-3-4-7-26(21)32(40)37-25-10-11-27(22(2)18-25)33(41)38-17-5-8-30(28-19-23(34)9-12-29(28)38)42-20-31(39)36-24-13-15-35-16-14-24/h3-4,6-7,9-12,18-19,24,30,35H,5,8,13-17,20H2,1-2H3,(H,36,39)(H,37,40)