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

Systemtic Name: 6-chloranyl-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3-methyl-quinazolin-2-one Openeye Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3-methyl-quinazolin-2-one CAS Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3-methyl-2-quinazolinone IUPAC Name: 6-chloro-4-cyclopropyl-4-ethynyl-1-[(4-methoxyphenyl)methyl]-3-methylquinazolin-2-one Traditional Name: 6-chloro-4-cyclopropyl-4-ethynyl-3-methyl-1-p-anisyl-quinazolin-2-one Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C2=C(C1(C#C)C3CC3)C=C(C=C2)Cl)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)N(C2=C(C1(C#C)C3CC3)C=C(C=C2)Cl)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21ClN2O2/c1-4-22(16-7-8-16)19-13-17(23)9-12-20(19)25(21(26)24(22)2)14-15-5-10-18(27-3)11-6-15/h1,5-6,9-13,16H,7-8,14H2,2-3H3