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

Systemtic Name: 3,3-dimethyl-N-[2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]butanamide Openeye Name: 3,3-dimethyl-N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]butanamide CAS Name: 3,3-dimethyl-N-[2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]butanamide Traditional Name: 3,3-dimethyl-N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]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)N2CCNCC2)N3CCCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)N4CCOCC4

InChI

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