N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-tert-butyl-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[(1S)-2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]benzamide Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H37N3O4/c1-19(2)25(29-26(32)21-7-9-22(10-8-21)28(3,4)5)27(33)31-14-12-30(13-15-31)17-20-6-11-23-24(16-20)35-18-34-23/h6-11,16,19,25H,12-15,17-18H2,1-5H3,(H,29,32)/t25-/m0/s1