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

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C29H45N5O3 MolecularWeight: 511.6993

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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)C4CCCCC4

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4CCCCC4

InChI

InChI=1S/C29H45N5O3/c1-29(2,3)21-26(35)33-15-7-14-32(18-19-33)25-11-10-23(28(37)34-16-12-30-13-17-34)20-24(25)31-27(36)22-8-5-4-6-9-22/h10-11,20,22,30H,4-9,12-19,21H2,1-3H3,(H,31,36)