N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopentanecarboxamide

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopentanecarboxamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide Formula: C28H43N5O3 MolecularWeight: 497.67272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4CCCC4

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4CCCC4

InChI

InChI=1S/C28H43N5O3/c1-28(2,3)20-25(34)32-14-6-13-31(17-18-32)24-10-9-22(27(36)33-15-11-29-12-16-33)19-23(24)30-26(35)21-7-4-5-8-21/h9-10,19,21,29H,4-8,11-18,20H2,1-3H3,(H,30,35)