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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-methyl-N-(phenylmethyl)pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-benzyl-5-methyl-pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-5-methyl-N-(phenylmethyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide Traditional Name: N-benzyl-N-[3-keto-3-(4-piperonylpiperazino)propyl]-5-methyl-pyrazinamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O4/c1-21-16-30-24(17-29-21)28(35)33(19-22-5-3-2-4-6-22)10-9-27(34)32-13-11-31(12-14-32)18-23-7-8-25-26(15-23)37-20-36-25/h2-8,15-17H,9-14,18-20H2,1H3