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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]benzamide Formula: C31H33N5O5 MolecularWeight: 555.62422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H33N5O5/c37-29(22-5-2-1-3-6-22)33-25-19-23(30(38)36-15-11-32-12-16-36)7-9-26(25)34-13-4-14-35(18-17-34)31(39)24-8-10-27-28(20-24)41-21-40-27/h1-3,5-10,19-20,32H,4,11-18,21H2,(H,33,37)