3-azanyl-4-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)OCCCNC2=C(C(=O)C2=O)N

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)OCCCNC2=C(C(=O)C2=O)N

InChI

InChI=1S/C16H21N3O3/c1-19(2)10-11-5-3-6-12(9-11)22-8-4-7-18-14-13(17)15(20)16(14)21/h3,5-6,9,18H,4,7-8,10,17H2,1-2H3