N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]cyclohexanecarboxamide

Systemtic Name: N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C27H39N5O3/c33-25(20-5-2-1-3-6-20)29-23-19-22(27(35)31-13-4-11-28-12-14-31)9-10-24(23)30-15-17-32(18-16-30)26(34)21-7-8-21/h9-10,19-21,28H,1-8,11-18H2,(H,29,33)