4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-isopentyl-phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-(3-methylbutyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-isoamyl-phthalazine-1-carboxamide Formula: C25H30ClN5O2 MolecularWeight: 467.991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC(C)CCNC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C25H30ClN5O2/c1-17(2)10-11-27-25(32)23-19-6-4-5-7-20(19)24(29-28-23)31-14-12-30(13-15-31)21-16-18(26)8-9-22(21)33-3/h4-9,16-17H,10-15H2,1-3H3,(H,27,32)