(2S)-2-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-3-(2-furylmethyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-3-(2-furanylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-3-(2-furfuryl)-1,2-dihydroquinazolin-4-one Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)Cl

InChI

InChI=1S/C21H23ClN4O2/c1-3-4-11-26-19(22)18(14(2)24-26)20-23-17-10-6-5-9-16(17)21(27)25(20)13-15-8-7-12-28-15/h5-10,12,20,23H,3-4,11,13H2,1-2H3/t20-/m0/s1