N-butan-2-yl-4-[4-(3-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-butan-2-yl-4-[4-(3-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-sec-butyl-phthalazine-1-carboxamide CAS Name: N-butan-2-yl-4-[4-(3-chlorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(3-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-N-sec-butyl-phthalazine-1-carboxamide Formula: C23H26ClN5O MolecularWeight: 423.93844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN5O/c1-3-16(2)25-23(30)21-19-9-4-5-10-20(19)22(27-26-21)29-13-11-28(12-14-29)18-8-6-7-17(24)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,30)