methyl 4-[2-[(4-cyanophenyl)carbonylamino]-4-(1,4-diazepan-1-ylcarbonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[(4-cyanophenyl)carbonylamino]-4-(1,4-diazepan-1-ylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-[(4-cyanobenzoyl)amino]-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(4-cyanophenyl)-oxomethyl]amino]-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-cyanobenzoyl)amino]-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-cyanobenzoyl)amino]-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H30N6O4/c1-36-26(35)32-15-13-30(14-16-32)23-8-7-21(25(34)31-11-2-9-28-10-12-31)17-22(23)29-24(33)20-5-3-19(18-27)4-6-20/h3-8,17,28H,2,9-16H2,1H3,(H,29,33)