3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclopropylmethyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]butanediamide CAS Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclopropylmethyl)-N'-[2-keto-1-[3-[4-(trifluoromethyl)phenyl]benzyl]azepan-3-yl]succinamide Formula: C31H36F3N3O3 MolecularWeight: 555.63105

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CC1)C(=O)NC2CCCCN(C2=O)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CC1)C(=O)NC2CCCCN(C2=O)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

InChI

InChI=1S/C31H36F3N3O3/c1-2-6-25(28(35)38)26(18-20-10-11-20)29(39)36-27-9-3-4-16-37(30(27)40)19-21-7-5-8-23(17-21)22-12-14-24(15-13-22)31(32,33)34/h2,5,7-8,12-15,17,20,25-27H,1,3-4,6,9-11,16,18-19H2,(H2,35,38)(H,36,39)