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

Systemtic Name: methyl 4-[2-(cyclopropylcarbonylamino)-4-(1,4-diazepan-1-ylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-(cyclopropanecarbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[cyclopropyl(oxo)methyl]amino]-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(cyclopropanecarbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(cyclopropanecarbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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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)C4CC4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4CC4

InChI

InChI=1S/C22H31N5O4/c1-31-22(30)27-13-11-25(12-14-27)19-6-5-17(15-18(19)24-20(28)16-3-4-16)21(29)26-9-2-7-23-8-10-26/h5-6,15-16,23H,2-4,7-14H2,1H3,(H,24,28)