2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]acetamide Formula: C30H40N6O5 MolecularWeight: 564.6758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C30H40N6O5/c1-40-25-6-3-23(4-7-25)21-28(37)32-26-22-24(29(38)34-13-9-31-10-14-34)5-8-27(26)33-11-2-12-35(16-15-33)30(39)36-17-19-41-20-18-36/h3-8,22,31H,2,9-21H2,1H3,(H,32,37)