(Z)-but-2-enedioic acid; N-[(1R)-1-cyclohexylethyl]-4-phenyl-phthalazin-1-amine

Systemtic Name: (Z)-but-2-enedioic acid; N-[(1R)-1-cyclohexylethyl]-4-phenyl-phthalazin-1-amine Openeye Name: N-[(1R)-1-cyclohexylethyl]-4-phenyl-phthalazin-1-amine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-[(1R)-1-cyclohexylethyl]-4-phenyl-1-phthalazinamine IUPAC Name: (Z)-but-2-enedioic acid; N-[(1R)-1-cyclohexylethyl]-4-phenylphthalazin-1-amine Traditional Name: [(1R)-1-cyclohexylethyl]-(4-phenylphthalazin-1-yl)amine; maleic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@H](C1CCCCC1)NC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H25N3.C4H4O4/c1-16(17-10-4-2-5-11-17)23-22-20-15-9-8-14-19(20)21(24-25-22)18-12-6-3-7-13-18;5-3(6)1-2-4(7)8/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m1./s1