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

Systemtic Name: N-butan-2-yl-4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-sec-butyl-phthalazine-1-carboxamide CAS Name: N-butan-2-yl-4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-sec-butyl-phthalazine-1-carboxamide Formula: C24H28ClN5O2 MolecularWeight: 453.96442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN5O2/c1-4-16(2)26-24(31)22-18-7-5-6-8-19(18)23(28-27-22)30-13-11-29(12-14-30)20-15-17(25)9-10-21(20)32-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,26,31)