N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-5-methyl-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazino)propyl]-5-methyl-N-phenethyl-pyrazinamide Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H33N5O4/c1-22-18-31-25(19-30-22)29(36)34(11-9-23-5-3-2-4-6-23)12-10-28(35)33-15-13-32(14-16-33)20-24-7-8-26-27(17-24)38-21-37-26/h2-8,17-19H,9-16,20-21H2,1H3