N'-[5-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-6-oxidanylidene-7H-benzo[d][1]benzazepin-7-yl]-3-(cyclopentylmethyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-[5-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-6-oxidanylidene-7H-benzo[d][1]benzazepin-7-yl]-3-(cyclopentylmethyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[5-[[3-(3-chloro-4-fluoro-phenyl)phenyl]methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-3-(cyclopentylmethyl)butanediamide CAS Name: N'-[5-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[5-[3-(3-chloro-4-fluoro-phenyl)benzyl]-6-keto-7H-benzo[d][1]benzazepin-7-yl]-3-(cyclopentylmethyl)succinamide Formula: C40H39ClFN3O3 MolecularWeight: 664.207363

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCCC1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C4N(C2=O)CC5=CC=CC(=C5)C6=CC(=C(C=C6)F)Cl)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CCCC1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C4N(C2=O)CC5=CC=CC(=C5)C6=CC(=C(C=C6)F)Cl)C(=O)N

InChI

InChI=1S/C40H39ClFN3O3/c1-2-10-32(38(43)46)33(22-25-11-3-4-12-25)39(47)44-37-31-17-6-5-15-29(31)30-16-7-8-18-36(30)45(40(37)48)24-26-13-9-14-27(21-26)28-19-20-35(42)34(41)23-28/h2,5-9,13-21,23,25,32-33,37H,1,3-4,10-12,22,24H2,(H2,43,46)(H,44,47)