2-[2-[3-(diethylamino)propyl]-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]ethanamide

Systemtic Name: 2-[2-[3-(diethylamino)propyl]-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]ethanamide Openeye Name: 2-[2-[3-(diethylamino)propyl]-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]acetamide CAS Name: 2-[2-[3-(diethylamino)propyl]-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]acetamide IUPAC Name: 2-[2-[3-(diethylamino)propyl]-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]acetamide Traditional Name: 2-[1-[3-(diethylamino)propyl]-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-3-pyrazolin-1-ium-1-yl]acetamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC[N+]1(C(=C2C=CC(=O)C=C2)C(=CN1)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCN(CC)CCC[N+]1(C(=C2C=CC(=O)C=C2)C(=CN1)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C24H30N4O2/c1-3-27(4-2)15-8-16-28(18-23(25)30)24(20-11-13-21(29)14-12-20)22(17-26-28)19-9-6-5-7-10-19/h5-7,9-14,17H,3-4,8,15-16,18H2,1-2H3,(H2-,25,26,29,30)/p+1