N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-tert-butyl-benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]benzamide Formula: C35H41N5O5 MolecularWeight: 611.73054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C35H41N5O5/c1-35(2,3)27-9-5-24(6-10-27)32(41)37-28-21-25(33(42)40-17-13-36-14-18-40)7-11-29(28)38-15-4-16-39(20-19-38)34(43)26-8-12-30-31(22-26)45-23-44-30/h5-12,21-22,36H,4,13-20,23H2,1-3H3,(H,37,41)