(3S,6S)-6-(4-azanylbutyl)-1-[(4-phenoxyphenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-6-(4-azanylbutyl)-1-[(4-phenoxyphenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-6-(4-aminobutyl)-1-[(4-phenoxyphenyl)methyl]-3-(tetralin-6-ylmethyl)piperazine-2,5-dione CAS Name: (3S,6S)-6-(4-aminobutyl)-1-[(4-phenoxyphenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-6-(4-aminobutyl)-1-[(4-phenoxyphenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperazine-2,5-dione Traditional Name: (3S,6S)-6-(4-aminobutyl)-1-(4-phenoxybenzyl)-3-(tetralin-6-ylmethyl)piperazine-2,5-quinone Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)CC3C(=O)N(C(C(=O)N3)CCCCN)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C[C@H]3C(=O)N([C@H](C(=O)N3)CCCCN)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C32H37N3O3/c33-19-7-6-12-30-31(36)34-29(21-24-13-16-25-8-4-5-9-26(25)20-24)32(37)35(30)22-23-14-17-28(18-15-23)38-27-10-2-1-3-11-27/h1-3,10-11,13-18,20,29-30H,4-9,12,19,21-22,33H2,(H,34,36)/t29-,30-/m0/s1