3-[3-(3-bromophenyl)-4-[(2S)-3-cyclopropyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(2S)-3-cyclopropyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3-bromophenyl)-4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3-bromophenyl)-4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3-bromophenyl)-4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3-bromophenyl)-4-[(2S)-3-cyclopropyl-4-keto-1,2-dihydroquinazolin-2-yl]pyrazol-1-yl]propionitrile Formula: C23H20BrN5O MolecularWeight: 462.3418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(NC3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC(=CC=C5)Br)CCC#N

Isomeric SMILES

C1CC1N2[C@H](NC3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC(=CC=C5)Br)CCC#N

InChI

InChI=1S/C23H20BrN5O/c24-16-6-3-5-15(13-16)21-19(14-28(27-21)12-4-11-25)22-26-20-8-2-1-7-18(20)23(30)29(22)17-9-10-17/h1-3,5-8,13-14,17,22,26H,4,9-10,12H2/t22-/m0/s1