methyl 4-[2-(3,3-dimethylbutanoylamino)-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-(3,3-dimethylbutanoylamino)-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-(3,3-dimethylbutanoylamino)-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,3-dimethylbutanoylamino)-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(3,3-dimethylbutanoylamino)-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C24H37N5O4 MolecularWeight: 459.58168

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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)OC

Isomeric SMILES

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

InChI

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