4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-piperidin-1-yl-phthalazine-1-carboxamide

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-piperidin-1-yl-phthalazine-1-carboxamide Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-piperidyl)phthalazine-1-carboxamide CAS Name: 4-[4-(3-methoxyphenyl)-1-piperazinyl]-N-(1-piperidinyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-piperidin-1-ylphthalazine-1-carboxamide Traditional Name: 4-[4-(3-methoxyphenyl)piperazino]-N-piperidino-phthalazine-1-carboxamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NN5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NN5CCCCC5

InChI

InChI=1S/C25H30N6O2/c1-33-20-9-7-8-19(18-20)29-14-16-30(17-15-29)24-22-11-4-3-10-21(22)23(26-27-24)25(32)28-31-12-5-2-6-13-31/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,28,32)