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

Systemtic Name: 3,4-dimethoxy-N-[2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3,4-dimethoxy-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C33H39N5O5 MolecularWeight: 585.69326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)CC5=CC=CC=C5)OC

InChI

InChI=1S/C33H39N5O5/c1-42-29-12-10-25(23-30(29)43-2)32(40)35-27-22-26(33(41)38-17-13-34-14-18-38)9-11-28(27)36-15-6-16-37(20-19-36)31(39)21-24-7-4-3-5-8-24/h3-5,7-12,22-23,34H,6,13-21H2,1-2H3,(H,35,40)