N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclopentanecarboxamide Openeye Name: N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]cyclopentanecarboxamide CAS Name: N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide IUPAC Name: N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclopentanecarboxamide Traditional Name: N-[6-[4-(2-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclopentanecarboxamide Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O3/c29-23(18-6-1-2-7-18)25-20-10-11-22(24-16-20)27-13-5-12-26(14-15-27)17-19-8-3-4-9-21(19)28(30)31/h3-4,8-11,16,18H,1-2,5-7,12-15,17H2,(H,25,29)