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

Systemtic Name: N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O/c29-23(20-5-2-1-3-6-20)26-21-7-8-22(25-17-21)28-14-4-13-27(15-16-28)18-19-9-11-24-12-10-19/h7-12,17,20H,1-6,13-16,18H2,(H,26,29)