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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(phenylmethyl)pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-benzyl-pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(phenylmethyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-benzylpyrazine-2-carboxamide Traditional Name: N-benzyl-N-[3-keto-3-(4-piperonylpiperazino)propyl]pyrazinamide Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN(CC4=CC=CC=C4)C(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN(CC4=CC=CC=C4)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C27H29N5O4/c33-26(31-14-12-30(13-15-31)18-22-6-7-24-25(16-22)36-20-35-24)8-11-32(19-21-4-2-1-3-5-21)27(34)23-17-28-9-10-29-23/h1-7,9-10,16-17H,8,11-15,18-20H2