N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-3-methoxy-benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-3-methoxy-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-3-methoxy-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazino]phenyl]-3-methoxy-benzamide Formula: C29H38N6O5 MolecularWeight: 550.64922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C29H38N6O5/c1-39-24-5-2-4-22(20-24)27(36)31-25-21-23(28(37)33-10-3-8-30-9-11-33)6-7-26(25)32-12-14-34(15-13-32)29(38)35-16-18-40-19-17-35/h2,4-7,20-21,30H,3,8-19H2,1H3,(H,31,36)