N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(1-piperidyl)phthalazin-1-yl]piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(1-piperidinyl)-1-phthalazinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(4-piperidinophthalazin-1-yl)isonipecotamide Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(C4=CC=CC=C43)N5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(C4=CC=CC=C43)N5CCCCC5)OC

InChI

InChI=1S/C29H37N5O3/c1-36-25-11-10-21(20-26(25)37-2)12-15-30-29(35)22-13-18-34(19-14-22)28-24-9-5-4-8-23(24)27(31-32-28)33-16-6-3-7-17-33/h4-5,8-11,20,22H,3,6-7,12-19H2,1-2H3,(H,30,35)