4-[4-[5-[[4-[(cyclopropylmethylamino)methyl]phenyl]amino]-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one; ethanoic acid

Systemtic Name: 4-[4-[5-[[4-[(cyclopropylmethylamino)methyl]phenyl]amino]-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one; ethanoic acid Openeye Name: acetic acid; 4-[4-[5-[4-[(cyclopropylmethylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: acetic acid; 4-[4-[5-[4-[(cyclopropylmethylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: acetic acid; 4-[4-[5-[4-[(cyclopropylmethylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: acetic acid; 4-[4-[5-[4-[(cyclopropylmethylamino)methyl]anilino]-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C28H30N4O4 MolecularWeight: 486.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC1CNCC2=CC=C(C=C2)NC3=CC(=C4C=CC(=C5C=CC(=O)C=C5O)C=C4)NN3

Isomeric SMILES

CC(=O)O.C1CC1CNCC2=CC=C(C=C2)NC3=CC(=C4C=CC(=C5C=CC(=O)C=C5O)C=C4)NN3

InChI

InChI=1S/C26H26N4O2.C2H4O2/c31-22-11-12-23(25(32)13-22)19-5-7-20(8-6-19)24-14-26(30-29-24)28-21-9-3-18(4-10-21)16-27-15-17-1-2-17;1-2(3)4/h3-14,17,27-30,32H,1-2,15-16H2;1H3,(H,3,4)