N-[3-(cyclohexylcarbamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)-3-(cyclohexylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)-3-(cyclohexylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)-3-(cyclohexylcarbamoyl)phenyl]-piperonylamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C32H36N4O4/c37-31(24-11-14-29-30(19-24)40-22-39-29)34-26-12-13-28(27(20-26)32(38)33-25-9-5-2-6-10-25)36-17-15-35(16-18-36)21-23-7-3-1-4-8-23/h1,3-4,7-8,11-14,19-20,25H,2,5-6,9-10,15-18,21-22H2,(H,33,38)(H,34,37)