6-chloranyl-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one

Systemtic Name: 6-chloranyl-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one Openeye Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one CAS Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one IUPAC Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one Traditional Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-p-anisyl-3H-quinazolin-2-one Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#C)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#C)C4CC4

InChI

InChI=1S/C21H19ClN2O2/c1-3-21(15-6-7-15)18-12-16(22)8-11-19(18)24(20(25)23-21)13-14-4-9-17(26-2)10-5-14/h1,4-5,8-12,15H,6-7,13H2,2H3,(H,23,25)