(Z)-but-2-enedioic acid; 3-(1,4-diazepan-1-yl)-1-propan-2-yl-quinoxalin-2-one

Systemtic Name: (Z)-but-2-enedioic acid; 3-(1,4-diazepan-1-yl)-1-propan-2-yl-quinoxalin-2-one Openeye Name: 3-(1,4-diazepan-1-yl)-1-isopropyl-quinoxalin-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-(1,4-diazepan-1-yl)-1-propan-2-yl-2-quinoxalinone IUPAC Name: (Z)-but-2-enedioic acid; 3-(1,4-diazepan-1-yl)-1-propan-2-ylquinoxalin-2-one Traditional Name: 3-(1,4-diazepan-1-yl)-1-isopropyl-quinoxalin-2-one; maleic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C(C1=O)N3CCCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C(C1=O)N3CCCNCC3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N4O.C4H4O4/c1-12(2)20-14-7-4-3-6-13(14)18-15(16(20)21)19-10-5-8-17-9-11-19;5-3(6)1-2-4(7)8/h3-4,6-7,12,17H,5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-