1-[(2R,5S)-5-[3-(4-azanylbutylamino)propyl]-4-[(2R)-2-azanyl-3-(2,4-dichlorophenyl)propyl]-2-(2-methylpropyl)piperazin-1-yl]-2-naphthalen-2-yl-ethanone

Systemtic Name: 1-[(2R,5S)-5-[3-(4-azanylbutylamino)propyl]-4-[(2R)-2-azanyl-3-(2,4-dichlorophenyl)propyl]-2-(2-methylpropyl)piperazin-1-yl]-2-naphthalen-2-yl-ethanone Openeye Name: 1-[(2R,5S)-5-[3-(4-aminobutylamino)propyl]-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propyl]-2-isobutyl-piperazin-1-yl]-2-(2-naphthyl)ethanone CAS Name: 1-[(2R,5S)-5-[3-(4-aminobutylamino)propyl]-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propyl]-2-(2-methylpropyl)-1-piperazinyl]-2-(2-naphthalenyl)ethanone IUPAC Name: 1-[(2R,5S)-5-[3-(4-aminobutylamino)propyl]-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propyl]-2-(2-methylpropyl)piperazin-1-yl]-2-naphthalen-2-ylethanone Traditional Name: 1-[(2R,5S)-5-[3-(4-aminobutylamino)propyl]-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propyl]-2-isobutyl-piperazino]-2-(2-naphthyl)ethanone Formula: C36H51Cl2N5O MolecularWeight: 640.72904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(C(CN1C(=O)CC2=CC3=CC=CC=C3C=C2)CCCNCCCCN)CC(CC4=C(C=C(C=C4)Cl)Cl)N

Isomeric SMILES

CC(C)C[C@@H]1CN([C@H](CN1C(=O)CC2=CC3=CC=CC=C3C=C2)CCCNCCCCN)C[C@@H](CC4=C(C=C(C=C4)Cl)Cl)N

InChI

InChI=1S/C36H51Cl2N5O/c1-26(2)18-34-24-42(23-32(40)21-30-13-14-31(37)22-35(30)38)33(10-7-17-41-16-6-5-15-39)25-43(34)36(44)20-27-11-12-28-8-3-4-9-29(28)19-27/h3-4,8-9,11-14,19,22,26,32-34,41H,5-7,10,15-18,20-21,23-25,39-40H2,1-2H3/t32-,33+,34-/m1/s1