N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H31N5O/c29-23(20-7-2-1-3-8-20)26-21-9-10-22(25-17-21)28-13-5-12-27(14-15-28)18-19-6-4-11-24-16-19/h4,6,9-11,16-17,20H,1-3,5,7-8,12-15,18H2,(H,26,29)