4-tert-butyl-N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(2-furfuryl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C26H32N4O2/c1-26(2,3)21-9-7-20(8-10-21)25(31)28-22-11-12-24(27-18-22)30-14-5-13-29(15-16-30)19-23-6-4-17-32-23/h4,6-12,17-18H,5,13-16,19H2,1-3H3,(H,28,31)