N'-[5-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-[5-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[5-[[3-(3-chloro-4-fluoro-phenyl)phenyl]methyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)butanediamide CAS Name: N'-[5-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[5-[3-(3-chloro-4-fluoro-phenyl)benzyl]-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)succinamide Formula: C39H38ClFN4O3 MolecularWeight: 665.195423

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CC1)C(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC4=CC=CC(=C4)C5=CC(=C(C=C5)F)Cl)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CC1)C(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC4=CC=CC(=C4)C5=CC(=C(C=C5)F)Cl)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C39H38ClFN4O3/c1-2-9-30(37(42)46)31(21-25-16-17-25)38(47)43-34-24-44(29-12-4-3-5-13-29)35-14-6-7-15-36(35)45(39(34)48)23-26-10-8-11-27(20-26)28-18-19-33(41)32(40)22-28/h2-8,10-15,18-20,22,25,30-31,34H,1,9,16-17,21,23-24H2,(H2,42,46)(H,43,47)