3-(3-aminophenyl)-4-[2-[4-(phenoxymethyl)piperidin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3-aminophenyl)-4-[2-[4-(phenoxymethyl)piperidin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3-aminophenyl)-4-[2-[4-(phenoxymethyl)-1-piperidyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(3-aminophenyl)-4-[2-[4-(phenoxymethyl)-1-piperidinyl]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3-aminophenyl)-4-[2-[4-(phenoxymethyl)piperidin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3-aminophenyl)-4-[2-[4-(phenoxymethyl)piperidino]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=CC=C2)CCNC3=C(C(=O)C3=O)C4=CC(=CC=C4)N

Isomeric SMILES

C1CN(CCC1COC2=CC=CC=C2)CCNC3=C(C(=O)C3=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C24H27N3O3/c25-19-6-4-5-18(15-19)21-22(24(29)23(21)28)26-11-14-27-12-9-17(10-13-27)16-30-20-7-2-1-3-8-20/h1-8,15,17,26H,9-14,16,25H2