4-(3-chloranyl-4-methoxy-phenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3-chloro-4-methoxyphenyl)-2-[4-(1-imidazolyl)butyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H25ClN4O2 MolecularWeight: 412.9125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCN4C=CN=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCN4C=CN=C4)Cl

InChI

InChI=1S/C22H25ClN4O2/c1-29-20-9-8-16(14-19(20)23)21-17-6-2-3-7-18(17)22(28)27(25-21)12-5-4-11-26-13-10-24-15-26/h2-3,8-10,13-15,17-18H,4-7,11-12H2,1H3