N-[3-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-keto-propyl]-4-nitro-benzamide Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5/c26-19(10-11-22-20(27)16-6-8-18(9-7-16)25(29)30)23-12-3-13-24(15-14-23)21(28)17-4-1-2-5-17/h6-9,17H,1-5,10-15H2,(H,22,27)