(4-azanylquinazolin-2-yl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C23H20ClN5O2 MolecularWeight: 433.8902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3C(=N2)N)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H20ClN5O2/c1-15-17(22(24)29(28-15)13-16-7-3-2-4-8-16)11-12-21(30)31-14-20-26-19-10-6-5-9-18(19)23(25)27-20/h2-12H,13-14H2,1H3,(H2,25,26,27)/b12-11+