1-(azepan-1-yl)-4-thiophen-2-yl-phthalazine; ethanedioic acid

Systemtic Name: 1-(azepan-1-yl)-4-thiophen-2-yl-phthalazine; ethanedioic acid Openeye Name: 1-(azepan-1-yl)-4-(2-thienyl)phthalazine; oxalic acid CAS Name: 1-(1-azepanyl)-4-thiophen-2-ylphthalazine; oxalic acid IUPAC Name: 1-(azepan-1-yl)-4-thiophen-2-ylphthalazine; oxalic acid Traditional Name: 1-(azepan-1-yl)-4-(2-thienyl)phthalazine; oxalic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3S.C2H2O4/c1-2-6-12-21(11-5-1)18-15-9-4-3-8-14(15)17(19-20-18)16-10-7-13-22-16;3-1(4)2(5)6/h3-4,7-10,13H,1-2,5-6,11-12H2;(H,3,4)(H,5,6)