(2S)-2-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-allyl-2-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-allyl-2-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C3NC4=CC=CC=C4C(=O)N3CC=C)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2[C@H]3NC4=CC=CC=C4C(=O)N3CC=C)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2/c1-3-17-32-27(29-24-15-9-7-13-21(24)28(32)33)23-19-31(18-20-11-5-4-6-12-20)30-26(23)22-14-8-10-16-25(22)34-2/h3-16,19,27,29H,1,17-18H2,2H3/t27-/m0/s1