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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-3,3-dimethylbutanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazino]phenyl]-3,3-dimethyl-butyramide Formula: C27H42N6O4 MolecularWeight: 514.66018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C27H42N6O4/c1-27(2,3)20-24(34)29-22-19-21(25(35)31-9-4-7-28-8-10-31)5-6-23(22)30-11-13-32(14-12-30)26(36)33-15-17-37-18-16-33/h5-6,19,28H,4,7-18,20H2,1-3H3,(H,29,34)