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

Systemtic Name: 3-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[3-(1-azepanylmethyl)phenoxy]propylamino]-4-methoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-4-methoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-quinone Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C1=O)NCCCOC2=CC=CC(=C2)CN3CCCCCC3

Isomeric SMILES

COC1=C(C(=O)C1=O)NCCCOC2=CC=CC(=C2)CN3CCCCCC3

InChI

InChI=1S/C21H28N2O4/c1-26-21-18(19(24)20(21)25)22-10-7-13-27-17-9-6-8-16(14-17)15-23-11-4-2-3-5-12-23/h6,8-9,14,22H,2-5,7,10-13,15H2,1H3