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

Systemtic Name: 3-(cyclopentylmethyl)-N'-[4-oxidanylidene-1-phenyl-5-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclopentylmethyl)-N'-[4-oxo-1-phenyl-5-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]butanediamide CAS Name: 3-(cyclopentylmethyl)-N'-[4-oxo-1-phenyl-5-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclopentylmethyl)-N'-[4-oxo-1-phenyl-5-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclopentylmethyl)-N'-[4-keto-1-phenyl-5-[3-[4-(trifluoromethyl)phenyl]benzyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]succinamide Formula: C42H43F3N4O3 MolecularWeight: 708.81103

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCCC1)C(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC4=CC=CC(=C4)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CCCC1)C(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC4=CC=CC(=C4)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C42H43F3N4O3/c1-2-11-34(39(46)50)35(25-28-12-6-7-13-28)40(51)47-36-27-48(33-16-4-3-5-17-33)37-18-8-9-19-38(37)49(41(36)52)26-29-14-10-15-31(24-29)30-20-22-32(23-21-30)42(43,44)45/h2-5,8-10,14-24,28,34-36H,1,6-7,11-13,25-27H2,(H2,46,50)(H,47,51)