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

Systemtic Name: 3-azanyl-4-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-(1-azepanylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C20H27N3O3/c21-17-18(20(25)19(17)24)22-9-6-12-26-16-8-5-7-15(13-16)14-23-10-3-1-2-4-11-23/h5,7-8,13,22H,1-4,6,9-12,14,21H2