3-(cyclopropylamino)-4-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclopropylamino)-4-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclopropylamino)-4-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclopropylamino)-4-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclopropylamino)-4-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclopropylamino)-4-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]cyclobut-3-ene-1,2-quinone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C(=O)C2=O)NC3CC3)CC4=CC5=C(O4)C=CC(=C5)C6=CSC=C6

Isomeric SMILES

C1CN(CCN(C1)C2=C(C(=O)C2=O)NC3CC3)CC4=CC5=C(O4)C=CC(=C5)C6=CSC=C6

InChI

InChI=1S/C25H25N3O3S/c29-24-22(26-19-3-4-19)23(25(24)30)28-8-1-7-27(9-10-28)14-20-13-18-12-16(2-5-21(18)31-20)17-6-11-32-15-17/h2,5-6,11-13,15,19,26H,1,3-4,7-10,14H2