1,5-dimethyl-2-phenyl-4-[(2-propan-2-ylquinazolin-3-ium-4-yl)amino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(2-propan-2-ylquinazolin-3-ium-4-yl)amino]pyrazol-3-one Openeye Name: 4-[(2-isopropylquinazolin-3-ium-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(2-propan-2-yl-4-quinazolin-3-iumyl)amino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(2-propan-2-ylquinazolin-3-ium-4-yl)amino]pyrazol-3-one Traditional Name: 4-[(2-isopropylquinazolin-3-ium-4-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]C(=NC4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]C(=NC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C22H23N5O/c1-14(2)20-23-18-13-9-8-12-17(18)21(25-20)24-19-15(3)26(4)27(22(19)28)16-10-6-5-7-11-16/h5-14H,1-4H3,(H,23,24,25)/p+1