(E)-4-[4-azanylbutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxidanylidene-N-quinolin-4-yl-but-2-enamide

Systemtic Name: (E)-4-[4-azanylbutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxidanylidene-N-quinolin-4-yl-but-2-enamide Openeye Name: (E)-4-[4-aminobutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxo-N-(4-quinolyl)but-2-enamide CAS Name: (E)-4-[4-aminobutyl-[[4-methyl-1-oxo-2-(3-phenylpropylamino)pentyl]amino]amino]-4-oxo-N-(4-quinolinyl)-2-butenamide IUPAC Name: (E)-4-[4-aminobutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxo-N-quinolin-4-ylbut-2-enamide Traditional Name: (E)-4-[4-aminobutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-keto-N-(4-quinolyl)but-2-enamide Formula: C32H42N6O3 MolecularWeight: 558.71428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NN(CCCCN)C(=O)C=CC(=O)NC1=CC=NC2=CC=CC=C21)NCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NN(CCCCN)C(=O)/C=C/C(=O)NC1=CC=NC2=CC=CC=C21)NCCCC3=CC=CC=C3

InChI

InChI=1S/C32H42N6O3/c1-24(2)23-29(34-20-10-13-25-11-4-3-5-12-25)32(41)37-38(22-9-8-19-33)31(40)17-16-30(39)36-28-18-21-35-27-15-7-6-14-26(27)28/h3-7,11-12,14-18,21,24,29,34H,8-10,13,19-20,22-23,33H2,1-2H3,(H,37,41)(H,35,36,39)/b17-16+