methyl 4-[2-[(4-tert-butylphenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-[(4-tert-butylphenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-[(4-tert-butylbenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-tert-butylbenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[(4-tert-butylbenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)OC

InChI

InChI=1S/C29H39N5O4/c1-29(2,3)23-9-6-21(7-10-23)26(35)31-24-20-22(27(36)33-16-12-30-13-17-33)8-11-25(24)32-14-5-15-34(19-18-32)28(37)38-4/h6-11,20,30H,5,12-19H2,1-4H3,(H,31,35)