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

Systemtic Name: methyl N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C24H37N5O4 MolecularWeight: 459.58168

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H37N5O4/c1-24(2,3)17-21(30)28-11-5-10-27(14-15-28)20-7-6-18(16-19(20)26-23(32)33-4)22(31)29-12-8-25-9-13-29/h6-7,16,25H,5,8-15,17H2,1-4H3,(H,26,32)