3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-4-(prop-2-ynylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-4-(prop-2-ynylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]-4-(prop-2-ynylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-4-(prop-2-ynylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-4-(prop-2-ynylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[3-(piperidinomethyl)phenoxy]propylamino]-4-(propargylamino)cyclobut-3-ene-1,2-quinone Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C(=O)C1=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

C#CCNC1=C(C(=O)C1=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C22H27N3O3/c1-2-10-23-19-20(22(27)21(19)26)24-11-7-14-28-18-9-6-8-17(15-18)16-25-12-4-3-5-13-25/h1,6,8-9,15,23-24H,3-5,7,10-14,16H2