3-[[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]methylamino]-4-piperidin-1-yl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]methylamino]-4-piperidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylamino]-4-(1-piperidyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]methylamino]-4-(1-piperidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylamino]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)benzyl]amino]-4-piperidino-cyclobut-3-ene-1,2-quinone Formula: C29H33N3O3 MolecularWeight: 471.59062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3/c33-27-25(26(28(27)34)31-15-5-2-6-16-31)30-20-23-9-11-24(12-10-23)29(35)32-17-13-22(14-18-32)19-21-7-3-1-4-8-21/h1,3-4,7-12,22,30H,2,5-6,13-20H2