N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[5-[(2-chloro-3-methyl-phenyl)methyl]thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[5-(2-chloro-3-methyl-benzyl)thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)CC4=CC=CC(=C4Cl)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)CC4=CC=CC(=C4Cl)C

InChI

InChI=1S/C23H21ClN4O2S/c1-3-11-28-22(30)18-10-5-4-9-17(18)20(27-28)21(29)26-23-25-13-16(31-23)12-15-8-6-7-14(2)19(15)24/h4-10,13H,3,11-12H2,1-2H3,(H,25,26,29)