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

Systemtic Name: N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Formula: C29H37N5O4 MolecularWeight: 519.63518

Click to see the large picture

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)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C29H37N5O4/c1-38-24-8-3-21(4-9-24)19-27(35)31-25-20-23(29(37)34-15-11-30-12-16-34)7-10-26(25)32-13-2-14-33(18-17-32)28(36)22-5-6-22/h3-4,7-10,20,22,30H,2,5-6,11-19H2,1H3,(H,31,35)